4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid

C12H17N3O4S — CID 122092807

IUPAC4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cnc(NC(=O)NC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C12H17N3O4S/c1-19-9-6-13-12(20-9)15-11(18)14-8-4-2-7(3-5-8)10(16)17/h6-8H,2-5H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyYQPXZXBGOWIOSZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.92
Rot. Bonds4

About 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122092807) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122092807
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cnc(NC(=O)NC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C12H17N3O4S/c1-19-9-6-13-12(20-9)15-11(18)14-8-4-2-7(3-5-8)10(16)17/h6-8H,2-5H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyYQPXZXBGOWIOSZ-UHFFFAOYSA-N
XLogP1.92
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 154834706
1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 136542648
2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092810
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465991
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-[(3,5-dimethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094174
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074630
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
1-(5-methoxy-1,3-thiazol-2-yl)-3-[(4-methylsulfonylcyclohexyl)methyl]urea
CID 138054346
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122092807) is 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid is COc1cnc(NC(=O)NC2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YQPXZXBGOWIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-9-6-13-12(20-9)15-11(18)14-8-4-2-7(3-5-8)10(16)17/h6-8H,2-5H2,1H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122092807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).