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

C15H17ClN2S2 — CID 103787071

IUPAC6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCc1cnc(CNC2CCSc3ccc(Cl)cc32)s1
InChIInChI=1S/C15H17ClN2S2/c1-2-11-8-18-15(20-11)9-17-13-5-6-19-14-4-3-10(16)7-12(13)14/h3-4,7-8,13,17H,2,5-6,9H2,1H3
InChIKeyHRMXFMIQYHZXAH-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.69
Rot. Bonds4

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

6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 103787071) has the molecular formula C15H17ClN2S2 and a molecular weight of 324.90 g/mol. Its IUPAC name is 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID103787071
Molecular FormulaC15H17ClN2S2
Molecular Weight324.90 g/mol
Exact Mass324.05
IUPAC Name6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCc1cnc(CNC2CCSc3ccc(Cl)cc32)s1
InChIInChI=1S/C15H17ClN2S2/c1-2-11-8-18-15(20-11)9-17-13-5-6-19-14-4-3-10(16)7-12(13)14/h3-4,7-8,13,17H,2,5-6,9H2,1H3
InChIKeyHRMXFMIQYHZXAH-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 103787071) is 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is CCc1cnc(CNC2CCSc3ccc(Cl)cc32)s1.
What is the InChIKey of 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is HRMXFMIQYHZXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S2/c1-2-11-8-18-15(20-11)9-17-13-5-6-19-14-4-3-10(16)7-12(13)14/h3-4,7-8,13,17H,2,5-6,9H2,1H3.
What are the key properties of 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 324.90 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 103787071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).