3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide

C13H16N4OS — CID 103379096

IUPAC3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESCc1ccccc1C(C)Nc1snc(N)c1C(N)=O
InChIInChI=1S/C13H16N4OS/c1-7-5-3-4-6-9(7)8(2)16-13-10(12(15)18)11(14)17-19-13/h3-6,8,16H,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyLGUHMGNJCUCUKQ-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.31
Rot. Bonds4

About 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide

3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103379096) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide
PubChem CID103379096
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESCc1ccccc1C(C)Nc1snc(N)c1C(N)=O
InChIInChI=1S/C13H16N4OS/c1-7-5-3-4-6-9(7)8(2)16-13-10(12(15)18)11(14)17-19-13/h3-6,8,16H,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyLGUHMGNJCUCUKQ-UHFFFAOYSA-N
XLogP2.31
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 103383966
methyl 3-amino-5-[1-(4-bromophenyl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103379092
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
CID 107195073
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
2-amino-N-[1-(2-methylphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120587054
N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81374015
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide (CID 103379096) is 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide is Cc1ccccc1C(C)Nc1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is LGUHMGNJCUCUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-5-3-4-6-9(7)8(2)16-13-10(12(15)18)11(14)17-19-13/h3-6,8,16H,1-2H3,(H2,14,17)(H2,15,18).
What are the key properties of 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[1-(2-methylphenyl)ethylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).