N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C13H14N4OS2 — CID 70770649

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1csc(CCCNC(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C13H14N4OS2/c1-9-8-20-11(15-9)3-2-4-14-12(18)10-7-17-5-6-19-13(17)16-10/h5-8H,2-4H2,1H3,(H,14,18)
InChIKeyAAVCVOWTDOZBTD-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.52
Rot. Bonds5

About N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70770649) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70770649
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1csc(CCCNC(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C13H14N4OS2/c1-9-8-20-11(15-9)3-2-4-14-12(18)10-7-17-5-6-19-13(17)16-10/h5-8H,2-4H2,1H3,(H,14,18)
InChIKeyAAVCVOWTDOZBTD-UHFFFAOYSA-N
XLogP2.52
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56892018
N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110852567
4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 118796056
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51328953
N-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110851231
3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 118762993

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70770649) is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1csc(CCCNC(=O)c2cn3ccsc3n2)n1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is AAVCVOWTDOZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS2/c1-9-8-20-11(15-9)3-2-4-14-12(18)10-7-17-5-6-19-13(17)16-10/h5-8H,2-4H2,1H3,(H,14,18).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 306.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70770649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).