(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide

C17H17N5O2S2 — CID 135617426

IUPAC(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1sc(NC(=O)[C@@H](C)Sc2nc(N)cc(=O)[nH]2)nc1-c1ccccc1
InChIInChI=1S/C17H17N5O2S2/c1-9-14(11-6-4-3-5-7-11)21-17(25-9)22-15(24)10(2)26-16-19-12(18)8-13(23)20-16/h3-8,10H,1-2H3,(H,21,22,24)(H3,18,19,20,23)/t10-/m1/s1
InChIKeyCPQLERJPSHACJL-SNVBAGLBSA-N
MW387.49 g/mol
LogP2.90
Rot. Bonds5

About (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide

(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 135617426) has the molecular formula C17H17N5O2S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID135617426
Molecular FormulaC17H17N5O2S2
Molecular Weight387.49 g/mol
Exact Mass387.08
IUPAC Name(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1sc(NC(=O)[C@@H](C)Sc2nc(N)cc(=O)[nH]2)nc1-c1ccccc1
InChIInChI=1S/C17H17N5O2S2/c1-9-14(11-6-4-3-5-7-11)21-17(25-9)22-15(24)10(2)26-16-19-12(18)8-13(23)20-16/h3-8,10H,1-2H3,(H,21,22,24)(H3,18,19,20,23)/t10-/m1/s1
InChIKeyCPQLERJPSHACJL-SNVBAGLBSA-N
XLogP2.90
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 135599225
ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 17087351
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 135420393
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 135552316
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685853
(2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 135763783
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 135414606
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 135811683
2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 23998249
2-methyl-N-[3-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18900370
(2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 135763806

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide (CID 135617426) is (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide is Cc1sc(NC(=O)[C@@H](C)Sc2nc(N)cc(=O)[nH]2)nc1-c1ccccc1.
What is the InChIKey of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is CPQLERJPSHACJL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17N5O2S2/c1-9-14(11-6-4-3-5-7-11)21-17(25-9)22-15(24)10(2)26-16-19-12(18)8-13(23)20-16/h3-8,10H,1-2H3,(H,21,22,24)(H3,18,19,20,23)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 387.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 135617426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).