(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid

C14H15N3O3S — CID 61465850

IUPAC(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
SMILESCc1nc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C14H15N3O3S/c1-8-9(2)21-14(15-8)17-13(20)16-11(12(18)19)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,18,19)(H2,15,16,17,20)/t11-/m1/s1
InChIKeyUZZGTXZKOHVEAM-LLVKDONJSA-N
MW305.36 g/mol
LogP2.71
Rot. Bonds4

About (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid

(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid (PubChem CID 61465850) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
PubChem CID61465850
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
SMILESCc1nc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C14H15N3O3S/c1-8-9(2)21-14(15-8)17-13(20)16-11(12(18)19)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,18,19)(H2,15,16,17,20)/t11-/m1/s1
InChIKeyUZZGTXZKOHVEAM-LLVKDONJSA-N
XLogP2.71
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid
CID 104874332
(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid
CID 61193281
methyl (2S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylpropanoate
CID 97002797
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 78976406
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-phenylethenyl]urea
CID 108903306
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioylamino]-3-phenylpropanoic acid
CID 19704066
2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid
CID 61465639
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea
CID 110706893
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107265677
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid (CID 61465850) is (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid is Cc1nc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)sc1C.
What is the InChIKey of (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid?
The InChIKey is UZZGTXZKOHVEAM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-9(2)21-14(15-8)17-13(20)16-11(12(18)19)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,18,19)(H2,15,16,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid?
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 61465850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).