2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide

C15H15ClN2S2 — CID 62948132

IUPAC2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
SMILESCC1c2ccsc2CCN1c1ccc(C(N)=S)c(Cl)c1
InChIInChI=1S/C15H15ClN2S2/c1-9-11-5-7-20-14(11)4-6-18(9)10-2-3-12(15(17)19)13(16)8-10/h2-3,5,7-9H,4,6H2,1H3,(H2,17,19)
InChIKeyRYALWEGQTBNBTF-UHFFFAOYSA-N
MW322.89 g/mol
LogP4.16
Rot. Bonds2

About 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide

2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide (PubChem CID 62948132) has the molecular formula C15H15ClN2S2 and a molecular weight of 322.89 g/mol. Its IUPAC name is 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
PubChem CID62948132
Molecular FormulaC15H15ClN2S2
Molecular Weight322.89 g/mol
Exact Mass322.04
IUPAC Name2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
SMILESCC1c2ccsc2CCN1c1ccc(C(N)=S)c(Cl)c1
InChIInChI=1S/C15H15ClN2S2/c1-9-11-5-7-20-14(11)4-6-18(9)10-2-3-12(15(17)19)13(16)8-10/h2-3,5,7-9H,4,6H2,1H3,(H2,17,19)
InChIKeyRYALWEGQTBNBTF-UHFFFAOYSA-N
XLogP4.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
CID 62496189
2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 62136637
2-chloro-4-(2,4-dimethylpiperidin-1-yl)benzenecarbothioamide
CID 62948645
2-chloro-4-(3-methylmorpholin-4-yl)benzenecarbothioamide
CID 62949124
(1R)-1-[3-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63368949
3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011245
3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide
CID 107060208
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline
CID 63678140
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)benzenecarbothioamide
CID 62948305
2-chloro-4-(2-ethylpiperidin-1-yl)benzenecarbothioamide
CID 62946953
5-(5-bromo-3-chloro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103583276
3-bromo-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 102822760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide?
The IUPAC name of 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide (CID 62948132) is 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide.
What is the SMILES notation for 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide?
The canonical SMILES for 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide is CC1c2ccsc2CCN1c1ccc(C(N)=S)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide?
The InChIKey is RYALWEGQTBNBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S2/c1-9-11-5-7-20-14(11)4-6-18(9)10-2-3-12(15(17)19)13(16)8-10/h2-3,5,7-9H,4,6H2,1H3,(H2,17,19).
What are the key properties of 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide?
2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide has a molecular weight of 322.89 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide is sourced from PubChem (CID 62948132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).