4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol

C15H18ClN3OS — CID 167425719

IUPAC4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1ncc(-c2cnc(Cl)cc2NC2CCC(O)CC2)s1
InChIInChI=1S/C15H18ClN3OS/c1-9-17-8-14(21-9)12-7-18-15(16)6-13(12)19-10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,18,19)
InChIKeyQGMXGCNUQJDQSS-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.88
Rot. Bonds3

About 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol

4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 167425719) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol
PubChem CID167425719
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1ncc(-c2cnc(Cl)cc2NC2CCC(O)CC2)s1
InChIInChI=1S/C15H18ClN3OS/c1-9-17-8-14(21-9)12-7-18-15(16)6-13(12)19-10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,18,19)
InChIKeyQGMXGCNUQJDQSS-UHFFFAOYSA-N
XLogP3.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
CID 167426088
[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone
CID 167425557
1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol
CID 139580446
N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine
CID 129270998
4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol
CID 167427009
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
4-[[2-chloro-5-(5-pyrrolidin-1-yl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572369
3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 118470222
4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 87174143
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol
CID 167425800
4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol
CID 43450447
5-bromo-2-chloro-N-cyclohexylpyridin-4-amine
CID 153365884

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol (CID 167425719) is 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol is Cc1ncc(-c2cnc(Cl)cc2NC2CCC(O)CC2)s1.
What is the InChIKey of 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is QGMXGCNUQJDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-9-17-8-14(21-9)12-7-18-15(16)6-13(12)19-10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,18,19).
What are the key properties of 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol?
4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 323.85 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 167425719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).