5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide

C16H21N5O2S — CID 134697284

IUPAC5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(N)=O)c(NC(=O)[C@H](Cc2ccccc2)N(C)C)s1
InChIInChI=1S/C16H21N5O2S/c1-18-16-19-12(13(17)22)15(24-16)20-14(23)11(21(2)3)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,17,22)(H,18,19)(H,20,23)/t11-/m0/s1
InChIKeyFBMIEGKWIRGIAB-NSHDSACASA-N
MW347.44 g/mol
LogP1.40
Rot. Bonds7

About 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide

5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 134697284) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID134697284
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(N)=O)c(NC(=O)[C@H](Cc2ccccc2)N(C)C)s1
InChIInChI=1S/C16H21N5O2S/c1-18-16-19-12(13(17)22)15(24-16)20-14(23)11(21(2)3)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,17,22)(H,18,19)(H,20,23)/t11-/m0/s1
InChIKeyFBMIEGKWIRGIAB-NSHDSACASA-N
XLogP1.40
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 134709746
2-(dimethylamino)-N-[5-[4-[5-[3-[2-(methylaminomethyl)phenyl]propanoylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 123353069
5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide
CID 96533531
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724081
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
2-[methyl(propan-2-yl)amino]-3-phenylpropanamide
CID 69053477
N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
CID 4534125
3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
CID 95614937
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 134697284) is 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(N)=O)c(NC(=O)[C@H](Cc2ccccc2)N(C)C)s1.
What is the InChIKey of 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is FBMIEGKWIRGIAB-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-18-16-19-12(13(17)22)15(24-16)20-14(23)11(21(2)3)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,17,22)(H,18,19)(H,20,23)/t11-/m0/s1.
What are the key properties of 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134697284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).