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

C12H10Cl2N2OS — CID 107126233

IUPAC(4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ncc(Cl)s2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H10Cl2N2OS/c13-6-1-2-9-7(3-6)8(15)4-10(17-9)12-16-5-11(14)18-12/h1-3,5,8,10H,4,15H2/t8-,10?/m0/s1
InChIKeyKEBYROAZTGFQED-PEHGTWAWSA-N
MW301.20 g/mol
LogP3.97
Rot. Bonds1

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

(4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107126233) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID107126233
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name(4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ncc(Cl)s2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H10Cl2N2OS/c13-6-1-2-9-7(3-6)8(15)4-10(17-9)12-16-5-11(14)18-12/h1-3,5,8,10H,4,15H2/t8-,10?/m0/s1
InChIKeyKEBYROAZTGFQED-PEHGTWAWSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945059
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 107126193
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 102846110
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944920
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 107126245
(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946067
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 107126247

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 107126233) is (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2ncc(Cl)s2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KEBYROAZTGFQED-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-6-1-2-9-7(3-6)8(15)4-10(17-9)12-16-5-11(14)18-12/h1-3,5,8,10H,4,15H2/t8-,10?/m0/s1.
What are the key properties of (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 301.20 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107126233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).