2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol

C13H15BrN2OS — CID 87617935

IUPAC2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H15BrN2OS/c1-13(2,8-17)16-12-15-11(7-18-12)9-3-5-10(14)6-4-9/h3-7,17H,8H2,1-2H3,(H,15,16)
InChIKeyMSHXOEPXYOEFJR-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.76
Rot. Bonds4

About 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 87617935) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol
PubChem CID87617935
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H15BrN2OS/c1-13(2,8-17)16-12-15-11(7-18-12)9-3-5-10(14)6-4-9/h3-7,17H,8H2,1-2H3,(H,15,16)
InChIKeyMSHXOEPXYOEFJR-UHFFFAOYSA-N
XLogP3.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 141197141
(2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 86618575
2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 43500206
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
CID 59822262
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide
CID 1497824
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
CID 3499419
4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
CID 18870687

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol (CID 87617935) is 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is MSHXOEPXYOEFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-13(2,8-17)16-12-15-11(7-18-12)9-3-5-10(14)6-4-9/h3-7,17H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 327.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 87617935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).