3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol

C9H15ClN2OS — CID 104879543

IUPAC3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)NCc1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-6(13)9(2,3)12-5-8-11-4-7(10)14-8/h4,6,12-13H,5H2,1-3H3
InChIKeyCYXRIBGKPARBTL-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.05
Rot. Bonds4

About 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol

3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol (PubChem CID 104879543) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
PubChem CID104879543
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)NCc1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-6(13)9(2,3)12-5-8-11-4-7(10)14-8/h4,6,12-13H,5H2,1-3H3
InChIKeyCYXRIBGKPARBTL-UHFFFAOYSA-N
XLogP2.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine
CID 104878932
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 104878972
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 107124089
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104878840
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 104879273
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 115866557
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 107124162
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
CID 104879366
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide
CID 104878456

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol?
The IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol (CID 104879543) is 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol is CC(O)C(C)(C)NCc1ncc(Cl)s1.
What is the InChIKey of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol?
The InChIKey is CYXRIBGKPARBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OS/c1-6(13)9(2,3)12-5-8-11-4-7(10)14-8/h4,6,12-13H,5H2,1-3H3.
What are the key properties of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol?
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol has a molecular weight of 234.75 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 104879543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).