3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C21H22ClN3OS — CID 3189544

IUPAC3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCN(C)CCCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H22ClN3OS/c1-24(2)12-7-13-25(20(26)17-10-6-11-18(22)14-17)21-23-19(15-27-21)16-8-4-3-5-9-16/h3-6,8-11,14-15H,7,12-13H2,1-2H3
InChIKeyUPTXSPOHBPYFBM-UHFFFAOYSA-N
MW399.95 g/mol
LogP5.06
Rot. Bonds7

About 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 3189544) has the molecular formula C21H22ClN3OS and a molecular weight of 399.95 g/mol. Its IUPAC name is 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID3189544
Molecular FormulaC21H22ClN3OS
Molecular Weight399.95 g/mol
Exact Mass399.12
IUPAC Name3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCN(C)CCCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H22ClN3OS/c1-24(2)12-7-13-25(20(26)17-10-6-11-18(22)14-17)21-23-19(15-27-21)16-8-4-3-5-9-16/h3-6,8-11,14-15H,7,12-13H2,1-2H3
InChIKeyUPTXSPOHBPYFBM-UHFFFAOYSA-N
XLogP5.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.95
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175846
1-N,3-N-bis(3-aminopropyl)-1-N,3-N-bis(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 66727925
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3173561
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667861
N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173578
N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433301
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide
CID 43963640
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylquinoline-4-carboxamide
CID 43963620
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 44929934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 3189544) is 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CN(C)CCCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is UPTXSPOHBPYFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3OS/c1-24(2)12-7-13-25(20(26)17-10-6-11-18(22)14-17)21-23-19(15-27-21)16-8-4-3-5-9-16/h3-6,8-11,14-15H,7,12-13H2,1-2H3.
What are the key properties of 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 399.95 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3189544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).