(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol

C9H15ClN2OS — CID 126988145

IUPAC(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@@H](CO)Nc1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-9(2,3)6(5-13)12-8-11-4-7(10)14-8/h4,6,13H,5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyMGCKOIGXKUXWGF-ZCFIWIBFSA-N
MW234.75 g/mol
LogP2.62
Rot. Bonds3

About (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol

(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 126988145) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID126988145
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@@H](CO)Nc1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-9(2,3)6(5-13)12-8-11-4-7(10)14-8/h4,6,13H,5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyMGCKOIGXKUXWGF-ZCFIWIBFSA-N
XLogP2.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol (CID 126988145) is (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol is CC(C)(C)[C@@H](CO)Nc1ncc(Cl)s1.
What is the InChIKey of (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is MGCKOIGXKUXWGF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15ClN2OS/c1-9(2,3)6(5-13)12-8-11-4-7(10)14-8/h4,6,13H,5H2,1-3H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol?
(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 234.75 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 126988145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).