4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide

C13H17N5OS — CID 66123312

IUPAC4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H17N5OS/c1-3-18-11(10(14)7(2)17-18)12(19)16-13-15-8-5-4-6-9(8)20-13/h3-6,14H2,1-2H3,(H,15,16,19)
InChIKeyDHARAHQJTJLUSU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.99
Rot. Bonds3

About 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 66123312) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID66123312
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H17N5OS/c1-3-18-11(10(14)7(2)17-18)12(19)16-13-15-8-5-4-6-9(8)20-13/h3-6,14H2,1-2H3,(H,15,16,19)
InChIKeyDHARAHQJTJLUSU-UHFFFAOYSA-N
XLogP1.99
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33041084
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 56809268
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
2,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 16952691
ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate
CID 60669660
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 33040554
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylpentanamide
CID 54963199
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 54963900
4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 75416080
5-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 17191195

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide (CID 66123312) is 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is DHARAHQJTJLUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-18-11(10(14)7(2)17-18)12(19)16-13-15-8-5-4-6-9(8)20-13/h3-6,14H2,1-2H3,(H,15,16,19).
What are the key properties of 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).