(2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid

C19H23N3O4S — CID 69349381

IUPAC(2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid
SMILESCOc1ccc(-c2nc(C(=O)N[C@H](C(=O)O)C3CCCCC3)c(N)s2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-13-9-7-12(8-10-13)18-22-15(16(20)27-18)17(23)21-14(19(24)25)11-5-3-2-4-6-11/h7-11,14H,2-6,20H2,1H3,(H,21,23)(H,24,25)/t14-/m0/s1
InChIKeyUUARJCXLNDIAAE-AWEZNQCLSA-N
MW389.48 g/mol
LogP3.16
Rot. Bonds6

About (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid

(2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid (PubChem CID 69349381) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid
PubChem CID69349381
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name(2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid
SMILESCOc1ccc(-c2nc(C(=O)N[C@H](C(=O)O)C3CCCCC3)c(N)s2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-13-9-7-12(8-10-13)18-22-15(16(20)27-18)17(23)21-14(19(24)25)11-5-3-2-4-6-11/h7-11,14H,2-6,20H2,1H3,(H,21,23)(H,24,25)/t14-/m0/s1
InChIKeyUUARJCXLNDIAAE-AWEZNQCLSA-N
XLogP3.16
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid with MolForge

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Related Compounds

5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 141145815
methyl (2S)-2-cyclohexyl-2-[[2-(4-methoxyphenyl)-4-[(2,4,6-trimethylphenyl)carbamoylamino]-1,3-thiazole-5-carbonyl]amino]acetate
CID 154433932
(2S)-2-[[2-(4-chlorophenyl)-5-[(2,4,6-trichlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid
CID 58994817
(2S)-2-cyclohexyl-2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-methoxyphenyl)thiophene-2-carbonyl]amino]acetic acid
CID 11649926
(2S)-2-[[4-amino-2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]-2-cyclohexylpropanoic acid
CID 57462449
2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 54901538
2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 61013926
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785
2-cyclopropyl-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 119213549
2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid
CID 62696487
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
CID 63188445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid?
The IUPAC name of (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid (CID 69349381) is (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid.
What is the SMILES notation for (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid?
The canonical SMILES for (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid is COc1ccc(-c2nc(C(=O)N[C@H](C(=O)O)C3CCCCC3)c(N)s2)cc1.
What is the InChIKey of (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid?
The InChIKey is UUARJCXLNDIAAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-13-9-7-12(8-10-13)18-22-15(16(20)27-18)17(23)21-14(19(24)25)11-5-3-2-4-6-11/h7-11,14H,2-6,20H2,1H3,(H,21,23)(H,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid?
(2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid has a molecular weight of 389.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-amino-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 69349381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).