[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol

C13H15BrN2OS — CID 62780698

IUPAC[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N(C)Cc2cccc(Br)c2)sc1CO
InChIInChI=1S/C13H15BrN2OS/c1-9-12(8-17)18-13(15-9)16(2)7-10-4-3-5-11(14)6-10/h3-6,17H,7-8H2,1-2H3
InChIKeySSGVZGBLWYZUON-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.34
Rot. Bonds4

About [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol

[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 62780698) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID62780698
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N(C)Cc2cccc(Br)c2)sc1CO
InChIInChI=1S/C13H15BrN2OS/c1-9-12(8-17)18-13(15-9)16(2)7-10-4-3-5-11(14)6-10/h3-6,17H,7-8H2,1-2H3
InChIKeySSGVZGBLWYZUON-UHFFFAOYSA-N
XLogP3.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 80688068
[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 55117529
2-[(3-bromophenyl)methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977464
2-[(3-bromophenyl)methyl-methylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976274
[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392645
1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
CID 55111987
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62764340
[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
CID 114845322
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol (CID 62780698) is [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(N(C)Cc2cccc(Br)c2)sc1CO.
What is the InChIKey of [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is SSGVZGBLWYZUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-9-12(8-17)18-13(15-9)16(2)7-10-4-3-5-11(14)6-10/h3-6,17H,7-8H2,1-2H3.
What are the key properties of [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol?
[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 327.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).