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

C12H17N3O3S — CID 55174649

IUPAC2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid
SMILESCc1csc(CCNC(=O)NC(C(=O)O)C2CC2)n1
InChIInChI=1S/C12H17N3O3S/c1-7-6-19-9(14-7)4-5-13-12(18)15-10(11(16)17)8-2-3-8/h6,8,10H,2-5H2,1H3,(H,16,17)(H2,13,15,18)
InChIKeyJTRQOTIBJRNBEP-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.16
Rot. Bonds6

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

2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid (PubChem CID 55174649) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid
PubChem CID55174649
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid
SMILESCc1csc(CCNC(=O)NC(C(=O)O)C2CC2)n1
InChIInChI=1S/C12H17N3O3S/c1-7-6-19-9(14-7)4-5-13-12(18)15-10(11(16)17)8-2-3-8/h6,8,10H,2-5H2,1H3,(H,16,17)(H2,13,15,18)
InChIKeyJTRQOTIBJRNBEP-UHFFFAOYSA-N
XLogP1.16
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
3-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 63241161
2-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 80540928
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63826114
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63240888
2-methoxy-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 114144694
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165
2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240581
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid (CID 55174649) is 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid is Cc1csc(CCNC(=O)NC(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid?
The InChIKey is JTRQOTIBJRNBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7-6-19-9(14-7)4-5-13-12(18)15-10(11(16)17)8-2-3-8/h6,8,10H,2-5H2,1H3,(H,16,17)(H2,13,15,18).
What are the key properties of 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 55174649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).