N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide

C25H31N3O2S — CID 3170752

IUPACN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCCN(CC)CCCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C25H31N3O2S/c1-5-27(6-2)15-8-16-28(24(29)21-10-7-9-19(3)17-21)25-26-23(18-31-25)20-11-13-22(30-4)14-12-20/h7,9-14,17-18H,5-6,8,15-16H2,1-4H3
InChIKeyKIDRJVCZNQDOOB-UHFFFAOYSA-N
MW437.61 g/mol
LogP5.51
Rot. Bonds10

About N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide

N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide (PubChem CID 3170752) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide
PubChem CID3170752
Molecular FormulaC25H31N3O2S
Molecular Weight437.61 g/mol
Exact Mass437.21
IUPAC NameN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCCN(CC)CCCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C25H31N3O2S/c1-5-27(6-2)15-8-16-28(24(29)21-10-7-9-19(3)17-21)25-26-23(18-31-25)20-11-13-22(30-4)14-12-20/h7,9-14,17-18H,5-6,8,15-16H2,1-4H3
InChIKeyKIDRJVCZNQDOOB-UHFFFAOYSA-N
XLogP5.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.61
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide (CID 3170752) is N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide is CCN(CC)CCCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The InChIKey is KIDRJVCZNQDOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S/c1-5-27(6-2)15-8-16-28(24(29)21-10-7-9-19(3)17-21)25-26-23(18-31-25)20-11-13-22(30-4)14-12-20/h7,9-14,17-18H,5-6,8,15-16H2,1-4H3.
What are the key properties of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide has a molecular weight of 437.61 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 3170752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).