2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

C14H15ClN2OS — CID 107126245

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ncc(Cl)s2)Oc2ccc(C)cc21
InChIInChI=1S/C14H15ClN2OS/c1-8-3-4-11-9(5-8)10(16-2)6-12(18-11)14-17-7-13(15)19-14/h3-5,7,10,12,16H,6H2,1-2H3
InChIKeyHWYAWPMIXSVLNA-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.89
Rot. Bonds2

About 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107126245) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID107126245
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ncc(Cl)s2)Oc2ccc(C)cc21
InChIInChI=1S/C14H15ClN2OS/c1-8-3-4-11-9(5-8)10(16-2)6-12(18-11)14-17-7-13(15)19-14/h3-5,7,10,12,16H,6H2,1-2H3
InChIKeyHWYAWPMIXSVLNA-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 107126247
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(2-bromophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712518
2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 102846139
(4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107126233
2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639
2-(2-chloro-6-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712531
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 107126193
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712027

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 107126245) is 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ncc(Cl)s2)Oc2ccc(C)cc21.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HWYAWPMIXSVLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-8-3-4-11-9(5-8)10(16-2)6-12(18-11)14-17-7-13(15)19-14/h3-5,7,10,12,16H,6H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 294.81 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107126245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).