3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide

C10H11N3OS2 — CID 61282056

IUPAC3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1nc(CNC(=O)c2sccc2N)cs1
InChIInChI=1S/C10H11N3OS2/c1-6-13-7(5-16-6)4-12-10(14)9-8(11)2-3-15-9/h2-3,5H,4,11H2,1H3,(H,12,14)
InChIKeyRNFABORUCNMMCH-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.03
Rot. Bonds3

About 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide

3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 61282056) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID61282056
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1nc(CNC(=O)c2sccc2N)cs1
InChIInChI=1S/C10H11N3OS2/c1-6-13-7(5-16-6)4-12-10(14)9-8(11)2-3-15-9/h2-3,5H,4,11H2,1H3,(H,12,14)
InChIKeyRNFABORUCNMMCH-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107932277
4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 65359551
3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 61139058
4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663998
N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524858
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089635
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
5-amino-2-bromo-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55118101

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide (CID 61282056) is 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide is Cc1nc(CNC(=O)c2sccc2N)cs1.
What is the InChIKey of 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is RNFABORUCNMMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-6-13-7(5-16-6)4-12-10(14)9-8(11)2-3-15-9/h2-3,5H,4,11H2,1H3,(H,12,14).
What are the key properties of 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 61282056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).