methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate

C11H15ClN2O2S2 — CID 103704048

IUPACmethyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCCC2SC)nc1Cl
InChIInChI=1S/C11H15ClN2O2S2/c1-16-10(15)8-9(12)14-11(18-8)13-6-4-3-5-7(6)17-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyBRCURCCBYNYWIF-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.28
Rot. Bonds4

About methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 103704048) has the molecular formula C11H15ClN2O2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID103704048
Molecular FormulaC11H15ClN2O2S2
Molecular Weight306.84 g/mol
Exact Mass306.03
IUPAC Namemethyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCCC2SC)nc1Cl
InChIInChI=1S/C11H15ClN2O2S2/c1-16-10(15)8-9(12)14-11(18-8)13-6-4-3-5-7(6)17-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyBRCURCCBYNYWIF-UHFFFAOYSA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]-1,3-thiazole-5-carboxylate
CID 103894556
methyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-ylamino)-4-chloro-1,3-thiazole-5-carboxylate
CID 133364786
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
CID 64921664
methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 113341175
methyl 4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 80602834
methyl 4-chloro-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 65470334
methyl 4-chloro-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 60844910
methyl 4-chloro-2-[(3-ethylsulfinylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 133338018
methyl 4-chloro-2-[(1-cyclopentylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133320343
methyl 4-chloro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133439494
methyl 4-chloro-2-[(2,2-dimethyloxan-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 113336621

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate (CID 103704048) is methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CCCC2SC)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is BRCURCCBYNYWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S2/c1-16-10(15)8-9(12)14-11(18-8)13-6-4-3-5-7(6)17-2/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 306.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 103704048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).