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

C13H15ClN2OS — CID 91245583

IUPAC2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)c1sc(NCc2ccccc2Cl)nc1O
InChIInChI=1S/C13H15ClN2OS/c1-8(2)11-12(17)16-13(18-11)15-7-9-5-3-4-6-10(9)14/h3-6,8,17H,7H2,1-2H3,(H,15,16)
InChIKeyCQWZDNVWMLIYTK-UHFFFAOYSA-N
MW282.80 g/mol
LogP4.24
Rot. Bonds4

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

2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol (PubChem CID 91245583) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol
PubChem CID91245583
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)c1sc(NCc2ccccc2Cl)nc1O
InChIInChI=1S/C13H15ClN2OS/c1-8(2)11-12(17)16-13(18-11)15-7-9-5-3-4-6-10(9)14/h3-6,8,17H,7H2,1-2H3,(H,15,16)
InChIKeyCQWZDNVWMLIYTK-UHFFFAOYSA-N
XLogP4.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624509
2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
CID 175663483
methyl 5-acetyl-2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 106696757
ethyl 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567979
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80785211
4-N-[(2-chlorophenyl)methyl]-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112859886
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
methyl 4-chloro-2-[(2-hydroxyphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 103894493
5-N-[(2-chlorophenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940485
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
4-N-[(2-chlorophenyl)methyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112891701

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol (CID 91245583) is 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol is CC(C)c1sc(NCc2ccccc2Cl)nc1O.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol?
The InChIKey is CQWZDNVWMLIYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8(2)11-12(17)16-13(18-11)15-7-9-5-3-4-6-10(9)14/h3-6,8,17H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol?
2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol has a molecular weight of 282.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 91245583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).