4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide

C12H13ClN4OS — CID 43737681

IUPAC4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1csnn1
InChIInChI=1S/C12H13ClN4OS/c1-17(2)12(18)10-4-3-8(13)5-11(10)14-6-9-7-19-16-15-9/h3-5,7,14H,6H2,1-2H3
InChIKeyDGPKNGNBXSAFEB-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.51
Rot. Bonds4

About 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide

4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide (PubChem CID 43737681) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
PubChem CID43737681
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1csnn1
InChIInChI=1S/C12H13ClN4OS/c1-17(2)12(18)10-4-3-8(13)5-11(10)14-6-9-7-19-16-15-9/h3-5,7,14H,6H2,1-2H3
InChIKeyDGPKNGNBXSAFEB-UHFFFAOYSA-N
XLogP2.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663808
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 81270374
2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 154782107
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555357
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide (CID 43737681) is 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide is CN(C)C(=O)c1ccc(Cl)cc1NCc1csnn1.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide?
The InChIKey is DGPKNGNBXSAFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-17(2)12(18)10-4-3-8(13)5-11(10)14-6-9-7-19-16-15-9/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide?
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide has a molecular weight of 296.78 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide is sourced from PubChem (CID 43737681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).