6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C15H17ClN2S2 — CID 64541854

IUPAC6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1nc(C)c(CNC2CCSc3ccc(Cl)cc32)s1
InChIInChI=1S/C15H17ClN2S2/c1-9-15(20-10(2)18-9)8-17-13-5-6-19-14-4-3-11(16)7-12(13)14/h3-4,7,13,17H,5-6,8H2,1-2H3
InChIKeyRWYVKIKYWCGFKJ-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.74
Rot. Bonds3

About 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 64541854) has the molecular formula C15H17ClN2S2 and a molecular weight of 324.90 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID64541854
Molecular FormulaC15H17ClN2S2
Molecular Weight324.90 g/mol
Exact Mass324.05
IUPAC Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1nc(C)c(CNC2CCSc3ccc(Cl)cc32)s1
InChIInChI=1S/C15H17ClN2S2/c1-9-15(20-10(2)18-9)8-17-13-5-6-19-14-4-3-11(16)7-12(13)14/h3-4,7,13,17H,5-6,8H2,1-2H3
InChIKeyRWYVKIKYWCGFKJ-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 64541854) is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is Cc1nc(C)c(CNC2CCSc3ccc(Cl)cc32)s1.
What is the InChIKey of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is RWYVKIKYWCGFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S2/c1-9-15(20-10(2)18-9)8-17-13-5-6-19-14-4-3-11(16)7-12(13)14/h3-4,7,13,17H,5-6,8H2,1-2H3.
What are the key properties of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 324.90 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 64541854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).