2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid

C14H21N3O3S — CID 63824705

IUPAC2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
SMILESO=C(NCCc1cscn1)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H21N3O3S/c18-13(19)12(10-4-2-1-3-5-10)17-14(20)15-7-6-11-8-21-9-16-11/h8-10,12H,1-7H2,(H,18,19)(H2,15,17,20)
InChIKeyUVTVDFHIPPAOSO-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.02
Rot. Bonds6

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

2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid (PubChem CID 63824705) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
PubChem CID63824705
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
SMILESO=C(NCCc1cscn1)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H21N3O3S/c18-13(19)12(10-4-2-1-3-5-10)17-14(20)15-7-6-11-8-21-9-16-11/h8-10,12H,1-7H2,(H,18,19)(H2,15,17,20)
InChIKeyUVTVDFHIPPAOSO-UHFFFAOYSA-N
XLogP2.02
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63826114
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
2-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55260652
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
(2S)-2-hydroxy-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 107840016
(2S)-4-methylsulfanyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 63823624
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid
CID 55174649
N-cyclohexyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679381
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid (CID 63824705) is 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid is O=C(NCCc1cscn1)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid?
The InChIKey is UVTVDFHIPPAOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c18-13(19)12(10-4-2-1-3-5-10)17-14(20)15-7-6-11-8-21-9-16-11/h8-10,12H,1-7H2,(H,18,19)(H2,15,17,20).
What are the key properties of 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid?
2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid has a molecular weight of 311.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 63824705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).