2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol

C16H20N2OS — CID 75496967

IUPAC2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol
SMILESCc1ncsc1CN(CC(O)c1ccccc1)C1CC1
InChIInChI=1S/C16H20N2OS/c1-12-16(20-11-17-12)10-18(14-7-8-14)9-15(19)13-5-3-2-4-6-13/h2-6,11,14-15,19H,7-10H2,1H3
InChIKeyKSRDIFZXMZDCML-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.15
Rot. Bonds6

About 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol

2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol (PubChem CID 75496967) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol
PubChem CID75496967
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol
SMILESCc1ncsc1CN(CC(O)c1ccccc1)C1CC1
InChIInChI=1S/C16H20N2OS/c1-12-16(20-11-17-12)10-18(14-7-8-14)9-15(19)13-5-3-2-4-6-13/h2-6,11,14-15,19H,7-10H2,1H3
InChIKeyKSRDIFZXMZDCML-UHFFFAOYSA-N
XLogP3.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol 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

2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 63843470
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol
CID 75496937
(2R)-2-hydroxy-1-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 129400927
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
CID 110885670
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide
CID 63837429
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
1-(4-bromophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-ol
CID 63836338
(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol
CID 92858666

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol (CID 75496967) is 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol is Cc1ncsc1CN(CC(O)c1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol?
The InChIKey is KSRDIFZXMZDCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-16(20-11-17-12)10-18(14-7-8-14)9-15(19)13-5-3-2-4-6-13/h2-6,11,14-15,19H,7-10H2,1H3.
What are the key properties of 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol?
2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol has a molecular weight of 288.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol is sourced from PubChem (CID 75496967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).