3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide

C13H20ClN3OS — CID 103403645

IUPAC3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1csc(C(=O)N(C)CCN2CCNCC2)c1Cl
InChIInChI=1S/C13H20ClN3OS/c1-10-9-19-12(11(10)14)13(18)16(2)7-8-17-5-3-15-4-6-17/h9,15H,3-8H2,1-2H3
InChIKeyYEBAQFNMXFTGQO-UHFFFAOYSA-N
MW301.84 g/mol
LogP1.69
Rot. Bonds4

About 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide

3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 103403645) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
PubChem CID103403645
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC Name3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1csc(C(=O)N(C)CCN2CCNCC2)c1Cl
InChIInChI=1S/C13H20ClN3OS/c1-10-9-19-12(11(10)14)13(18)16(2)7-8-17-5-3-15-4-6-17/h9,15H,3-8H2,1-2H3
InChIKeyYEBAQFNMXFTGQO-UHFFFAOYSA-N
XLogP1.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449
3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
CID 103403296
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide
CID 65209933
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
(3-chloro-4-methylthiophen-2-yl)-(1,4-diazepan-1-yl)methanone
CID 103399757
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671415

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide (CID 103403645) is 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide is Cc1csc(C(=O)N(C)CCN2CCNCC2)c1Cl.
What is the InChIKey of 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is YEBAQFNMXFTGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-10-9-19-12(11(10)14)13(18)16(2)7-8-17-5-3-15-4-6-17/h9,15H,3-8H2,1-2H3.
What are the key properties of 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide?
3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 301.84 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 103403645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).