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

C10H17ClN2OS — CID 80693436

IUPAC[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(C)(C)N(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H17ClN2OS/c1-5-10(2,3)13(4)9-12-8(11)7(6-14)15-9/h14H,5-6H2,1-4H3
InChIKeyMRVZIXCOAZCNBI-UHFFFAOYSA-N
MW248.78 g/mol
LogP2.91
Rot. Bonds4

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

[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80693436) has the molecular formula C10H17ClN2OS and a molecular weight of 248.78 g/mol. Its IUPAC name is [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80693436
Molecular FormulaC10H17ClN2OS
Molecular Weight248.78 g/mol
Exact Mass248.08
IUPAC Name[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(C)(C)N(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H17ClN2OS/c1-5-10(2,3)13(4)9-12-8(11)7(6-14)15-9/h14H,5-6H2,1-4H3
InChIKeyMRVZIXCOAZCNBI-UHFFFAOYSA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693627
[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112661812
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
[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692298
[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
CID 80693639
[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692409
(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80692827
[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692406
N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79392809
4-bromo-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 79399798
2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 80692698

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol (CID 80693436) is [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol is CCC(C)(C)N(C)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is MRVZIXCOAZCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2OS/c1-5-10(2,3)13(4)9-12-8(11)7(6-14)15-9/h14H,5-6H2,1-4H3.
What are the key properties of [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 248.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).