N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C14H16N2O2S2 — CID 103280451

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H16N2O2S2/c17-11-2-1-9(5-11)6-15-13(18)12-8-20-14(16-12)10-3-4-19-7-10/h3-4,7-9,11,17H,1-2,5-6H2,(H,15,18)
InChIKeyHZZJHJZRZKLRKQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.76
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 103280451) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID103280451
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H16N2O2S2/c17-11-2-1-9(5-11)6-15-13(18)12-8-20-14(16-12)10-3-4-19-7-10/h3-4,7-9,11,17H,1-2,5-6H2,(H,15,18)
InChIKeyHZZJHJZRZKLRKQ-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 78877116
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
N-(1H-pyrrol-3-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 106385182
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 103280451) is N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(NCC1CCC(O)C1)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HZZJHJZRZKLRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-11-2-1-9(5-11)6-15-13(18)12-8-20-14(16-12)10-3-4-19-7-10/h3-4,7-9,11,17H,1-2,5-6H2,(H,15,18).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103280451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).