2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

C13H15N3OS2 — CID 66378252

IUPAC2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCc2cc3c(s2)CCC3)cs1
InChIInChI=1S/C13H15N3OS2/c14-5-12-16-10(7-18-12)13(17)15-6-9-4-8-2-1-3-11(8)19-9/h4,7H,1-3,5-6,14H2,(H,15,17)
InChIKeyXWHGVXWNCFZWQQ-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.08
Rot. Bonds4

About 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66378252) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID66378252
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCc2cc3c(s2)CCC3)cs1
InChIInChI=1S/C13H15N3OS2/c14-5-12-16-10(7-18-12)13(17)15-6-9-4-8-2-1-3-11(8)19-9/h4,7H,1-3,5-6,14H2,(H,15,17)
InChIKeyXWHGVXWNCFZWQQ-UHFFFAOYSA-N
XLogP2.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
2-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66377859
2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119897334
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119771916
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
2-(aminomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 119700463
2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119698675
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 66378252) is 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NCc2cc3c(s2)CCC3)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XWHGVXWNCFZWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c14-5-12-16-10(7-18-12)13(17)15-6-9-4-8-2-1-3-11(8)19-9/h4,7H,1-3,5-6,14H2,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66378252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).