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

C19H21N3OS2 — CID 653491

IUPACN-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H21N3OS2/c1-21(2)11-7-12-22(18(23)17-10-6-13-24-17)19-20-16(14-25-19)15-8-4-3-5-9-15/h3-6,8-10,13-14H,7,11-12H2,1-2H3
InChIKeyUKOHEKHUXHXZTA-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.47
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 653491) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID653491
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC NameN-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H21N3OS2/c1-21(2)11-7-12-22(18(23)17-10-6-13-24-17)19-20-16(14-25-19)15-8-4-3-5-9-15/h3-6,8-10,13-14H,7,11-12H2,1-2H3
InChIKeyUKOHEKHUXHXZTA-UHFFFAOYSA-N
XLogP4.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 653491) is N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is CN(C)CCCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is UKOHEKHUXHXZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-21(2)11-7-12-22(18(23)17-10-6-13-24-17)19-20-16(14-25-19)15-8-4-3-5-9-15/h3-6,8-10,13-14H,7,11-12H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 653491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).