[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol

C15H13ClN2O2S — CID 168582662

IUPAC[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol
SMILESOCc1ccc(-c2cccc(NCc3cnc(Cl)s3)c2)o1
InChIInChI=1S/C15H13ClN2O2S/c16-15-18-8-13(21-15)7-17-11-3-1-2-10(6-11)14-5-4-12(9-19)20-14/h1-6,8,17,19H,7,9H2
InChIKeyZFIDLZLXWUUKNH-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.16
Rot. Bonds5

About [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol

[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol (PubChem CID 168582662) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol
PubChem CID168582662
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol
SMILESOCc1ccc(-c2cccc(NCc3cnc(Cl)s3)c2)o1
InChIInChI=1S/C15H13ClN2O2S/c16-15-18-8-13(21-15)7-17-11-3-1-2-10(6-11)14-5-4-12(9-19)20-14/h1-6,8,17,19H,7,9H2
InChIKeyZFIDLZLXWUUKNH-UHFFFAOYSA-N
XLogP4.16
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 168581794
3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168580875
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(difluoromethylsulfanyl)aniline
CID 168581415
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(trifluoromethoxy)aniline
CID 168579556
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol
CID 168582471
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-iodophenyl)-1,3-benzoxazol-5-amine
CID 168583468
(E)-3-(4-chlorophenyl)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677676
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168580497
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
2-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 168580272

Frequently Asked Questions

What is the IUPAC name of [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol?
The IUPAC name of [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol (CID 168582662) is [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol?
The canonical SMILES for [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol is OCc1ccc(-c2cccc(NCc3cnc(Cl)s3)c2)o1.
What is the InChIKey of [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol?
The InChIKey is ZFIDLZLXWUUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-15-18-8-13(21-15)7-17-11-3-1-2-10(6-11)14-5-4-12(9-19)20-14/h1-6,8,17,19H,7,9H2.
What are the key properties of [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol?
[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol has a molecular weight of 320.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol is sourced from PubChem (CID 168582662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).