2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide

C19H26N4OS — CID 119884554

IUPAC2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC1(CNC(=O)c2csc(CN)n2)CCCC1)c1ccccc1
InChIInChI=1S/C19H26N4OS/c1-14(15-7-3-2-4-8-15)23-19(9-5-6-10-19)13-21-18(24)16-12-25-17(11-20)22-16/h2-4,7-8,12,14,23H,5-6,9-11,13,20H2,1H3,(H,21,24)
InChIKeyYNFYLOZWSFHRMU-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.00
Rot. Bonds7

About 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119884554) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID119884554
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC1(CNC(=O)c2csc(CN)n2)CCCC1)c1ccccc1
InChIInChI=1S/C19H26N4OS/c1-14(15-7-3-2-4-8-15)23-19(9-5-6-10-19)13-21-18(24)16-12-25-17(11-20)22-16/h2-4,7-8,12,14,23H,5-6,9-11,13,20H2,1H3,(H,21,24)
InChIKeyYNFYLOZWSFHRMU-UHFFFAOYSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884553
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720
2-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 119821394
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-(aminomethyl)-N-(2-methoxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 119703923
2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119770275
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96539984
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
CID 120639023

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide (CID 119884554) is 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide is CC(NC1(CNC(=O)c2csc(CN)n2)CCCC1)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YNFYLOZWSFHRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14(15-7-3-2-4-8-15)23-19(9-5-6-10-19)13-21-18(24)16-12-25-17(11-20)22-16/h2-4,7-8,12,14,23H,5-6,9-11,13,20H2,1H3,(H,21,24).
What are the key properties of 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119884554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).