N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide

C15H16N4O2S — CID 39177703

IUPACN-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESNCC(=O)Nc1nc(-c2ccccc2NC(=O)C2CC2)cs1
InChIInChI=1S/C15H16N4O2S/c16-7-13(20)19-15-18-12(8-22-15)10-3-1-2-4-11(10)17-14(21)9-5-6-9/h1-4,8-9H,5-7,16H2,(H,17,21)(H,18,19,20)
InChIKeyMSVMKHSIUDVLER-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.06
Rot. Bonds5

About N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide

N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 39177703) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID39177703
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESNCC(=O)Nc1nc(-c2ccccc2NC(=O)C2CC2)cs1
InChIInChI=1S/C15H16N4O2S/c16-7-13(20)19-15-18-12(8-22-15)10-3-1-2-4-11(10)17-14(21)9-5-6-9/h1-4,8-9H,5-7,16H2,(H,17,21)(H,18,19,20)
InChIKeyMSVMKHSIUDVLER-UHFFFAOYSA-N
XLogP2.06
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
CID 25030885
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406366
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
CID 119676852
N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 18899084
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 39011385
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide (CID 39177703) is N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide is NCC(=O)Nc1nc(-c2ccccc2NC(=O)C2CC2)cs1.
What is the InChIKey of N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is MSVMKHSIUDVLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-7-13(20)19-15-18-12(8-22-15)10-3-1-2-4-11(10)17-14(21)9-5-6-9/h1-4,8-9H,5-7,16H2,(H,17,21)(H,18,19,20).
What are the key properties of N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 39177703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).