methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate

C10H13N3O3S — CID 47197345

IUPACmethyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)NC2CC2)n1
InChIInChI=1S/C10H13N3O3S/c1-16-8(14)4-7-5-17-10(12-7)13-9(15)11-6-2-3-6/h5-6H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeyGITFFTSLDKARCC-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 47197345) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID47197345
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Namemethyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)NC2CC2)n1
InChIInChI=1S/C10H13N3O3S/c1-16-8(14)4-7-5-17-10(12-7)13-9(15)11-6-2-3-6/h5-6H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeyGITFFTSLDKARCC-UHFFFAOYSA-N
XLogP1.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(bicyclo[3.1.0]hexane-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 79600201
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
N-cyclopropyl-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 27451343
methyl 2-[2-(2,2,2-trifluoroethylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 115601152
methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate
CID 146122556
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603
methyl 2-[2-[(2-cyclohexyloxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 51087089
methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 54938697
1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 41211659

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate (CID 47197345) is methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)NC2CC2)n1.
What is the InChIKey of methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is GITFFTSLDKARCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-16-8(14)4-7-5-17-10(12-7)13-9(15)11-6-2-3-6/h5-6H,2-4H2,1H3,(H2,11,12,13,15).
What are the key properties of methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 255.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 47197345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).