(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol

C8H12ClNOS2 — CID 80692827

IUPAC(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
SMILESCC(C)(C)Sc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H12ClNOS2/c1-8(2,3)13-7-10-6(9)5(4-11)12-7/h11H,4H2,1-3H3
InChIKeyVWYRROPBOJRKRJ-UHFFFAOYSA-N
MW237.78 g/mol
LogP3.18
Rot. Bonds2

About (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol

(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol (PubChem CID 80692827) has the molecular formula C8H12ClNOS2 and a molecular weight of 237.78 g/mol. Its IUPAC name is (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
PubChem CID80692827
Molecular FormulaC8H12ClNOS2
Molecular Weight237.78 g/mol
Exact Mass237.00
IUPAC Name(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
SMILESCC(C)(C)Sc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H12ClNOS2/c1-8(2,3)13-7-10-6(9)5(4-11)12-7/h11H,4H2,1-3H3
InChIKeyVWYRROPBOJRKRJ-UHFFFAOYSA-N
XLogP3.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692339
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol
CID 107772316
[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693370
(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80693138
[4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692337
[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693463
[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693034
[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80693436
[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692045
[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
CID 130679999
[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692897
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol
CID 130683338

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol (CID 80692827) is (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol is CC(C)(C)Sc1nc(Cl)c(CO)s1.
What is the InChIKey of (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol?
The InChIKey is VWYRROPBOJRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS2/c1-8(2,3)13-7-10-6(9)5(4-11)12-7/h11H,4H2,1-3H3.
What are the key properties of (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol?
(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol has a molecular weight of 237.78 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 80692827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).