N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

C15H19N3OS — CID 164615283

IUPACN-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-18(2)10-6-9-16-14(19)13-11-17-15(20-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,19)
InChIKeyUNHGCWILXDAQSA-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.49
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 164615283) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID164615283
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-18(2)10-6-9-16-14(19)13-11-17-15(20-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,19)
InChIKeyUNHGCWILXDAQSA-UHFFFAOYSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 164615283) is N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is CN(C)CCCNC(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is UNHGCWILXDAQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18(2)10-6-9-16-14(19)13-11-17-15(20-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164615283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).