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

C14H21N3O3S — CID 61465639

IUPAC2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid
SMILESCc1nc(NC(=O)NC(C(=O)O)C2CCCCC2)sc1C
InChIInChI=1S/C14H21N3O3S/c1-8-9(2)21-14(15-8)17-13(20)16-11(12(18)19)10-6-4-3-5-7-10/h10-11H,3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyKPQMZZJPBIAJSB-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.91
Rot. Bonds4

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

2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid (PubChem CID 61465639) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid
PubChem CID61465639
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid
SMILESCc1nc(NC(=O)NC(C(=O)O)C2CCCCC2)sc1C
InChIInChI=1S/C14H21N3O3S/c1-8-9(2)21-14(15-8)17-13(20)16-11(12(18)19)10-6-4-3-5-7-10/h10-11H,3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyKPQMZZJPBIAJSB-UHFFFAOYSA-N
XLogP2.91
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 78976406
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465991
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
CID 61465850
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107265677
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 108915529
2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid
CID 79399207
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91242212
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 61464445
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid (CID 61465639) is 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid is Cc1nc(NC(=O)NC(C(=O)O)C2CCCCC2)sc1C.
What is the InChIKey of 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid?
The InChIKey is KPQMZZJPBIAJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-9(2)21-14(15-8)17-13(20)16-11(12(18)19)10-6-4-3-5-7-10/h10-11H,3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid?
2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid has a molecular weight of 311.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 61465639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).