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

C16H21ClN2OS — CID 79396955

IUPAC[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)C(C)c2ccc(Cl)cc2)sc1CO
InChIInChI=1S/C16H21ClN2OS/c1-10(2)15-14(9-20)21-16(18-15)19(4)11(3)12-5-7-13(17)8-6-12/h5-8,10-11,20H,9H2,1-4H3
InChIKeyYZAVDPUBWQCDRP-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.61
Rot. Bonds5

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

[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79396955) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79396955
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)C(C)c2ccc(Cl)cc2)sc1CO
InChIInChI=1S/C16H21ClN2OS/c1-10(2)15-14(9-20)21-16(18-15)19(4)11(3)12-5-7-13(17)8-6-12/h5-8,10-11,20H,9H2,1-4H3
InChIKeyYZAVDPUBWQCDRP-UHFFFAOYSA-N
XLogP4.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
CID 80693639
[2-[(4-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392577
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393645
[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392645
[2-[(4-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433809
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83156958
2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62983529
[2-(2-methoxy-N-methylanilino)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392784
4-chloro-5-(chloromethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 80688239
N-[1-(3-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62985300
[2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79400563
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79396955) is [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N(C)C(C)c2ccc(Cl)cc2)sc1CO.
What is the InChIKey of [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is YZAVDPUBWQCDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-10(2)15-14(9-20)21-16(18-15)19(4)11(3)12-5-7-13(17)8-6-12/h5-8,10-11,20H,9H2,1-4H3.
What are the key properties of [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 324.88 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79396955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).