4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide

C11H12N4OS — CID 50741983

IUPAC4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(NCc2ccccc2)nc1N
InChIInChI=1S/C11H12N4OS/c12-9-8(10(13)16)17-11(15-9)14-6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,13,16)(H,14,15)
InChIKeyGKMPGGUYZNCZPO-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.44
Rot. Bonds4

About 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide

4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide (PubChem CID 50741983) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide
PubChem CID50741983
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(NCc2ccccc2)nc1N
InChIInChI=1S/C11H12N4OS/c12-9-8(10(13)16)17-11(15-9)14-6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,13,16)(H,14,15)
InChIKeyGKMPGGUYZNCZPO-UHFFFAOYSA-N
XLogP1.44
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 71733211
4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092258
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
4-methyl-2-[(4-phenylmethoxyphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 9149376
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782
4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669286
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone
CID 46901375
4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
N-benzyl-5-chloro-1,3,4-thiadiazol-2-amine
CID 75446200

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide (CID 50741983) is 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide is NC(=O)c1sc(NCc2ccccc2)nc1N.
What is the InChIKey of 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is GKMPGGUYZNCZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-9-8(10(13)16)17-11(15-9)14-6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,13,16)(H,14,15).
What are the key properties of 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide?
4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50741983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).