N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C19H24N4OS — CID 39084732

IUPACN-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCCCCN(C)C)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C19H24N4OS/c1-14-17(18(24)20-11-7-8-12-22(2)3)25-19-21-16(13-23(14)19)15-9-5-4-6-10-15/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,20,24)
InChIKeyWHSCZSLPVNXADT-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.44
Rot. Bonds7

About N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 39084732) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID39084732
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCCCCN(C)C)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C19H24N4OS/c1-14-17(18(24)20-11-7-8-12-22(2)3)25-19-21-16(13-23(14)19)15-9-5-4-6-10-15/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,20,24)
InChIKeyWHSCZSLPVNXADT-UHFFFAOYSA-N
XLogP3.44
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 39084732) is N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCCCCN(C)C)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is WHSCZSLPVNXADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-17(18(24)20-11-7-8-12-22(2)3)25-19-21-16(13-23(14)19)15-9-5-4-6-10-15/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 39084732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).