4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol

C16H19ClFN3OS — CID 168581229

IUPAC4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2c(F)cccc2NCc2cnc(Cl)s2)CC1
InChIInChI=1S/C16H19ClFN3OS/c17-16-20-9-12(23-16)8-19-14-3-1-2-13(18)15(14)21-10-4-6-11(22)7-5-10/h1-3,9-11,19,21-22H,4-8H2
InChIKeySWOARUQQRGUBSK-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.26
Rot. Bonds5

About 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol

4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol (PubChem CID 168581229) has the molecular formula C16H19ClFN3OS and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol
PubChem CID168581229
Molecular FormulaC16H19ClFN3OS
Molecular Weight355.87 g/mol
Exact Mass355.09
IUPAC Name4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2c(F)cccc2NCc2cnc(Cl)s2)CC1
InChIInChI=1S/C16H19ClFN3OS/c17-16-20-9-12(23-16)8-19-14-3-1-2-13(18)15(14)21-10-4-6-11(22)7-5-10/h1-3,9-11,19,21-22H,4-8H2
InChIKeySWOARUQQRGUBSK-UHFFFAOYSA-N
XLogP4.26
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol with MolForge

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Related Compounds

tert-butyl 4-[[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]methyl]piperidine-1-carboxylate
CID 168582840
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 168580176
[3-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]thiourea
CID 169359391
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-6-pentan-3-yloxyaniline
CID 168582652
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
CID 168579845
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-3-fluoroaniline
CID 168580763
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenyl]ethanone
CID 168580633
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-2-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 168582833
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
CID 168583939
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
CID 168581306
1-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,6-difluorophenyl]piperidin-4-ol
CID 168580770
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol?
The IUPAC name of 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol (CID 168581229) is 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol is OC1CCC(Nc2c(F)cccc2NCc2cnc(Cl)s2)CC1.
What is the InChIKey of 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol?
The InChIKey is SWOARUQQRGUBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3OS/c17-16-20-9-12(23-16)8-19-14-3-1-2-13(18)15(14)21-10-4-6-11(22)7-5-10/h1-3,9-11,19,21-22H,4-8H2.
What are the key properties of 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol?
4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol has a molecular weight of 355.87 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoroanilino]cyclohexan-1-ol is sourced from PubChem (CID 168581229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).