(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol

C7H10BrNOS — CID 101486525

IUPAC(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
SMILESC[C@@H](CCO)c1nc(Br)cs1
InChIInChI=1S/C7H10BrNOS/c1-5(2-3-10)7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3/t5-/m0/s1
InChIKeyNGZUMISEXIQXEB-YFKPBYRVSA-N
MW236.13 g/mol
LogP2.39
Rot. Bonds3

About (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol

(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol (PubChem CID 101486525) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
PubChem CID101486525
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
SMILESC[C@@H](CCO)c1nc(Br)cs1
InChIInChI=1S/C7H10BrNOS/c1-5(2-3-10)7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3/t5-/m0/s1
InChIKeyNGZUMISEXIQXEB-YFKPBYRVSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 79399901
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 82121806
2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol
CID 114684436
(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
CID 51039708
1-(4-bromo-1,3-thiazol-2-yl)ethyl formate
CID 174800577
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]ethanol
CID 79399141
4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 104696832
4-bromo-2-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazole
CID 71472970
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
(2S,3S)-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxy-2-methylpropanoic acid
CID 170055800
3-(4-bromo-1,3-thiazol-2-yl)-3-(dimethylamino)propanoic acid
CID 175719246
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436912

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol (CID 101486525) is (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol is C[C@@H](CCO)c1nc(Br)cs1.
What is the InChIKey of (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is NGZUMISEXIQXEB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10BrNOS/c1-5(2-3-10)7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol?
(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 236.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 101486525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).