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

C9H15ClN2OS2 — CID 112661812

IUPAC[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCSCC(C)N(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C9H15ClN2OS2/c1-6(5-14-3)12(2)9-11-8(10)7(4-13)15-9/h6,13H,4-5H2,1-3H3
InChIKeyYDEGAHKGGHJLGR-UHFFFAOYSA-N
MW266.82 g/mol
LogP2.48
Rot. Bonds5

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

[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 112661812) has the molecular formula C9H15ClN2OS2 and a molecular weight of 266.82 g/mol. Its IUPAC name is [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID112661812
Molecular FormulaC9H15ClN2OS2
Molecular Weight266.82 g/mol
Exact Mass266.03
IUPAC Name[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCSCC(C)N(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C9H15ClN2OS2/c1-6(5-14-3)12(2)9-11-8(10)7(4-13)15-9/h6,13H,4-5H2,1-3H3
InChIKeyYDEGAHKGGHJLGR-UHFFFAOYSA-N
XLogP2.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
CID 80693639
[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62780335
[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80693436
[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112666401
1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 112666406
4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
CID 115988003
[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 112666546
[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693627
5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol
CID 107200937
[4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692094
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996
4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115987992

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol (CID 112661812) is [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol is CSCC(C)N(C)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is YDEGAHKGGHJLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OS2/c1-6(5-14-3)12(2)9-11-8(10)7(4-13)15-9/h6,13H,4-5H2,1-3H3.
What are the key properties of [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 266.82 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 112661812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).