[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol

C11H17ClN2OS — CID 80692298

IUPAC[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCN(c1nc(Cl)c(CO)s1)C1CCCC1
InChIInChI=1S/C11H17ClN2OS/c1-2-14(8-5-3-4-6-8)11-13-10(12)9(7-15)16-11/h8,15H,2-7H2,1H3
InChIKeyFWTQFYPVSSKRJZ-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.06
Rot. Bonds4

About [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80692298) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80692298
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCN(c1nc(Cl)c(CO)s1)C1CCCC1
InChIInChI=1S/C11H17ClN2OS/c1-2-14(8-5-3-4-6-8)11-13-10(12)9(7-15)16-11/h8,15H,2-7H2,1H3
InChIKeyFWTQFYPVSSKRJZ-UHFFFAOYSA-N
XLogP3.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[cyclohexyl(ethyl)amino]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 63916638
[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392778
[2-[cyclohexyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510864
[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692409
N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62766939
N-butyl-4-chloro-5-(chloromethyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 80687396
[4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692094
[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80693436
2-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392907
2-[cyclohexyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765774
4-chloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 107399733
[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112661812

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol (CID 80692298) is [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol is CCN(c1nc(Cl)c(CO)s1)C1CCCC1.
What is the InChIKey of [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is FWTQFYPVSSKRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-2-14(8-5-3-4-6-8)11-13-10(12)9(7-15)16-11/h8,15H,2-7H2,1H3.
What are the key properties of [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 260.79 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).