(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid

C14H14N2O3S2 — CID 2341123

IUPAC(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid
SMILESC[C@@H](SCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O
InChIInChI=1S/C14H14N2O3S2/c1-9(13(18)19)20-8-12(17)16-14-15-11(7-21-14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,18,19)(H,15,16,17)/t9-/m1/s1
InChIKeyMFDFUOFDUXFPHS-SECBINFHSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds6

About (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid

(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid (PubChem CID 2341123) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid
PubChem CID2341123
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid
SMILESC[C@@H](SCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O
InChIInChI=1S/C14H14N2O3S2/c1-9(13(18)19)20-8-12(17)16-14-15-11(7-21-14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,18,19)(H,15,16,17)/t9-/m1/s1
InChIKeyMFDFUOFDUXFPHS-SECBINFHSA-N
XLogP2.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

S-[4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butyl] 2-methylpropanethioate
CID 163269958
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
N-(4-phenyl-1,3-thiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 1426864
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 1412311
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 9457624
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] carbamimidothioate;hydrochloride
CID 171150561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid (CID 2341123) is (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid is C[C@@H](SCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O.
What is the InChIKey of (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid?
The InChIKey is MFDFUOFDUXFPHS-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9(13(18)19)20-8-12(17)16-14-15-11(7-21-14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,18,19)(H,15,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid?
(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid has a molecular weight of 322.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 2341123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).