8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide

C16H16ClN5OS — CID 134713697

IUPAC8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)c2ccc3cccc(Cl)c3n2)s1
InChIInChI=1S/C16H16ClN5OS/c1-22(2)9-8-13-20-21-16(24-13)19-15(23)12-7-6-10-4-3-5-11(17)14(10)18-12/h3-7H,8-9H2,1-2H3,(H,19,21,23)
InChIKeyZXBDQPZZCPXHOW-UHFFFAOYSA-N
MW361.86 g/mol
LogP3.10
Rot. Bonds5

About 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide

8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide (PubChem CID 134713697) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide
PubChem CID134713697
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)c2ccc3cccc(Cl)c3n2)s1
InChIInChI=1S/C16H16ClN5OS/c1-22(2)9-8-13-20-21-16(24-13)19-15(23)12-7-6-10-4-3-5-11(17)14(10)18-12/h3-7H,8-9H2,1-2H3,(H,19,21,23)
InChIKeyZXBDQPZZCPXHOW-UHFFFAOYSA-N
XLogP3.10
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide (CID 134713697) is 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide is CN(C)CCc1nnc(NC(=O)c2ccc3cccc(Cl)c3n2)s1.
What is the InChIKey of 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide?
The InChIKey is ZXBDQPZZCPXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-22(2)9-8-13-20-21-16(24-13)19-15(23)12-7-6-10-4-3-5-11(17)14(10)18-12/h3-7H,8-9H2,1-2H3,(H,19,21,23).
What are the key properties of 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide?
8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide has a molecular weight of 361.86 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 134713697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).