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

C15H19ClN2OS — CID 79392645

IUPAC[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)Cc2cccc(Cl)c2)sc1CO
InChIInChI=1S/C15H19ClN2OS/c1-10(2)14-13(9-19)20-15(17-14)18(3)8-11-5-4-6-12(16)7-11/h4-7,10,19H,8-9H2,1-3H3
InChIKeyVTPSXKVYWNMMSH-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.05
Rot. Bonds5

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

[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79392645) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79392645
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)Cc2cccc(Cl)c2)sc1CO
InChIInChI=1S/C15H19ClN2OS/c1-10(2)14-13(9-19)20-15(17-14)18(3)8-11-5-4-6-12(16)7-11/h4-7,10,19H,8-9H2,1-3H3
InChIKeyVTPSXKVYWNMMSH-UHFFFAOYSA-N
XLogP4.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392577
[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 55117529
[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396852
[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396955
[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780698
[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393653
[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088864
[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065554
N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55112162
[2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79400563
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62764340

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79392645) is [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N(C)Cc2cccc(Cl)c2)sc1CO.
What is the InChIKey of [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is VTPSXKVYWNMMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10(2)14-13(9-19)20-15(17-14)18(3)8-11-5-4-6-12(16)7-11/h4-7,10,19H,8-9H2,1-3H3.
What are the key properties of [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 310.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79392645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).