4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C15H20N4OS — CID 116667931

IUPAC4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC(C)c2ccccc2)s1
InChIInChI=1S/C15H20N4OS/c1-9(2)17-15-19-13(16)12(21-15)14(20)18-10(3)11-7-5-4-6-8-11/h4-10H,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyIDCPGALJWNVRKR-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.04
Rot. Bonds5

About 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116667931) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116667931
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC(C)c2ccccc2)s1
InChIInChI=1S/C15H20N4OS/c1-9(2)17-15-19-13(16)12(21-15)14(20)18-10(3)11-7-5-4-6-8-11/h4-10H,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyIDCPGALJWNVRKR-UHFFFAOYSA-N
XLogP3.04
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669916
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106199056
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-amino-N-(1-methoxypentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666894
4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672031
5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515473
4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663930

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116667931) is 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NC(C)c2ccccc2)s1.
What is the InChIKey of 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is IDCPGALJWNVRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)17-15-19-13(16)12(21-15)14(20)18-10(3)11-7-5-4-6-8-11/h4-10H,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).