2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

C11H13N3OS2 — CID 62787544

IUPAC2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1csc(N)n1
InChIInChI=1S/C11H13N3OS2/c1-7-3-4-16-9(7)5-14(2)10(15)8-6-17-11(12)13-8/h3-4,6H,5H2,1-2H3,(H2,12,13)
InChIKeyAPVPNZLVLXHMII-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.37
Rot. Bonds3

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

2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 62787544) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID62787544
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1csc(N)n1
InChIInChI=1S/C11H13N3OS2/c1-7-3-4-16-9(7)5-14(2)10(15)8-6-17-11(12)13-8/h3-4,6H,5H2,1-2H3,(H2,12,13)
InChIKeyAPVPNZLVLXHMII-UHFFFAOYSA-N
XLogP2.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55538672
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62082818
N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 29049954
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62786857
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63692953
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62789282
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 62787544) is 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccsc1CN(C)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is APVPNZLVLXHMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-7-3-4-16-9(7)5-14(2)10(15)8-6-17-11(12)13-8/h3-4,6H,5H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).