2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide

C11H17N3OS — CID 103812762

IUPAC2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
SMILESCCCC1CC1NC(=O)c1csc(CN)n1
InChIInChI=1S/C11H17N3OS/c1-2-3-7-4-8(7)14-11(15)9-6-16-10(5-12)13-9/h6-8H,2-5,12H2,1H3,(H,14,15)
InChIKeyNBDNTKQRHCMLSZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.52
Rot. Bonds5

About 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide (PubChem CID 103812762) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
PubChem CID103812762
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
SMILESCCCC1CC1NC(=O)c1csc(CN)n1
InChIInChI=1S/C11H17N3OS/c1-2-3-7-4-8(7)14-11(15)9-6-16-10(5-12)13-9/h6-8H,2-5,12H2,1H3,(H,14,15)
InChIKeyNBDNTKQRHCMLSZ-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 119750347
N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103713530
6-amino-N-(2-propylcyclopropyl)pyridine-2-carboxamide
CID 103832172
2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
CID 103307161
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide
CID 114118049
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 119783085

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide (CID 103812762) is 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide is CCCC1CC1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NBDNTKQRHCMLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-3-7-4-8(7)14-11(15)9-6-16-10(5-12)13-9/h6-8H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103812762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).