[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol

C9H13ClN2OS — CID 130735058

IUPAC[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol
SMILESCC(Nc1nc(Cl)c(CO)s1)C1CC1
InChIInChI=1S/C9H13ClN2OS/c1-5(6-2-3-6)11-9-12-8(10)7(4-13)14-9/h5-6,13H,2-4H2,1H3,(H,11,12)
InChIKeyDREPJZFRQKJUFS-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.50
Rot. Bonds4

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

[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 130735058) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol
PubChem CID130735058
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol
SMILESCC(Nc1nc(Cl)c(CO)s1)C1CC1
InChIInChI=1S/C9H13ClN2OS/c1-5(6-2-3-6)11-9-12-8(10)7(4-13)14-9/h5-6,13H,2-4H2,1H3,(H,11,12)
InChIKeyDREPJZFRQKJUFS-UHFFFAOYSA-N
XLogP2.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol
CID 130683338
[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
CID 130679999
[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol
CID 130735722
methyl 4-chloro-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 103768475
[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol
CID 126989041
[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692503
3,5,6-trichloro-N-(1-cyclopropylethyl)pyridin-2-amine
CID 102750364
(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80692827
[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692298
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine
CID 103768449
4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine
CID 79398777

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol (CID 130735058) is [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol is CC(Nc1nc(Cl)c(CO)s1)C1CC1.
What is the InChIKey of [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is DREPJZFRQKJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-5(6-2-3-6)11-9-12-8(10)7(4-13)14-9/h5-6,13H,2-4H2,1H3,(H,11,12).
What are the key properties of [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 232.74 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 130735058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).