N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C26H33N3O4S — CID 3173578

IUPACN-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)CCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H33N3O4S/c1-6-28(7-2)14-11-15-29(26-27-21(18-34-26)19-12-9-8-10-13-19)25(30)20-16-22(31-3)24(33-5)23(17-20)32-4/h8-10,12-13,16-18H,6-7,11,14-15H2,1-5H3
InChIKeyYUVGSSQZKANWGT-UHFFFAOYSA-N
MW483.63 g/mol
LogP5.21
Rot. Bonds12

About N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 3173578) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID3173578
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)CCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H33N3O4S/c1-6-28(7-2)14-11-15-29(26-27-21(18-34-26)19-12-9-8-10-13-19)25(30)20-16-22(31-3)24(33-5)23(17-20)32-4/h8-10,12-13,16-18H,6-7,11,14-15H2,1-5H3
InChIKeyYUVGSSQZKANWGT-UHFFFAOYSA-N
XLogP5.21
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.63
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139482
N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 3189574
3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3189544
N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 44522335
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-[3-(diethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide;oxalic acid
CID 171667862
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 1176076
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3173561
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667861

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 3173578) is N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CCN(CC)CCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YUVGSSQZKANWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-6-28(7-2)14-11-15-29(26-27-21(18-34-26)19-12-9-8-10-13-19)25(30)20-16-22(31-3)24(33-5)23(17-20)32-4/h8-10,12-13,16-18H,6-7,11,14-15H2,1-5H3.
What are the key properties of N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 483.63 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3173578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).