N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide

C17H19N3O3S — CID 119602212

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide
SMILESNCC1CCCC1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C17H19N3O3S/c18-7-11-2-1-3-12(11)20-16(21)15-8-19-17(24-15)10-4-5-13-14(6-10)23-9-22-13/h4-6,8,11-12H,1-3,7,9,18H2,(H,20,21)
InChIKeyJONFMMXRVZAUFX-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.40
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide

N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 119602212) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID119602212
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide
SMILESNCC1CCCC1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C17H19N3O3S/c18-7-11-2-1-3-12(11)20-16(21)15-8-19-17(24-15)10-4-5-13-14(6-10)23-9-22-13/h4-6,8,11-12H,1-3,7,9,18H2,(H,20,21)
InChIKeyJONFMMXRVZAUFX-UHFFFAOYSA-N
XLogP2.40
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610815
cis-(1R,3S)-3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678065
N-[2-(aminomethyl)cyclopentyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 119602827
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119602507
2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 119511510
N-[3-(aminomethyl)pentan-3-yl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119569852
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 119506283
4-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 119204381
N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119600652
2-(1,3-benzodioxol-5-yl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 95327744
N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119604010
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide (CID 119602212) is N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide is NCC1CCCC1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is JONFMMXRVZAUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-7-11-2-1-3-12(11)20-16(21)15-8-19-17(24-15)10-4-5-13-14(6-10)23-9-22-13/h4-6,8,11-12H,1-3,7,9,18H2,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119602212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).