N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C17H17ClN6O3S — CID 58925748

IUPACN-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESNC(=O)COc1ccc(CNc2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
InChIInChI=1S/C17H17ClN6O3S/c18-11-5-10(27-7-12(19)25)4-3-9(11)6-20-14-13-15(24-23-14)21-17(28-13)22-16(26)8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,19,25)(H3,20,21,22,23,24,26)
InChIKeyLZFMEVFDVFUWCG-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.50
Rot. Bonds8

About N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925748) has the molecular formula C17H17ClN6O3S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925748
Molecular FormulaC17H17ClN6O3S
Molecular Weight420.88 g/mol
Exact Mass420.08
IUPAC NameN-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESNC(=O)COc1ccc(CNc2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
InChIInChI=1S/C17H17ClN6O3S/c18-11-5-10(27-7-12(19)25)4-3-9(11)6-20-14-13-15(24-23-14)21-17(28-13)22-16(26)8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,19,25)(H3,20,21,22,23,24,26)
InChIKeyLZFMEVFDVFUWCG-UHFFFAOYSA-N
XLogP2.50
TPSA135.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-chloro-4-[2-(methylamino)-2-oxoethoxy]phenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925646
N-[3-[5-[2-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925658
N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925663
N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925666
N-[3-[5-[4-(2-aminoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925670
N-[3-[5-[2-chloro-4-[2-(2-cyclopentylethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925695
N-[3-[5-[2-chloro-4-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925699
N-[3-[5-[4-(2-anilino-2-oxoethoxy)-2-chlorophenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925701
N-[3-[5-[2-chloro-4-[2-(methylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925713
N-[3-[5-[2-chloro-4-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925719
N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925721
N-[3-[5-[2-chloro-4-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925809

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925748) is N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is NC(=O)COc1ccc(CNc2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1.
What is the InChIKey of N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is LZFMEVFDVFUWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3S/c18-11-5-10(27-7-12(19)25)4-3-9(11)6-20-14-13-15(24-23-14)21-17(28-13)22-16(26)8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,19,25)(H3,20,21,22,23,24,26).
What are the key properties of N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 420.88 g/mol, XLogP of 2.50, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-amino-2-oxoethoxy)-2-chlorophenyl]methylamino]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).