3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C14H17N5OS — CID 166245430

IUPAC3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCCC(NC(=O)c1sc2nccn2c1C)c1ncc(C)[nH]1
InChIInChI=1S/C14H17N5OS/c1-4-10(12-16-7-8(2)17-12)18-13(20)11-9(3)19-6-5-15-14(19)21-11/h5-7,10H,4H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyMFURTHABKGANLI-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.62
Rot. Bonds4

About 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 166245430) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID166245430
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCCC(NC(=O)c1sc2nccn2c1C)c1ncc(C)[nH]1
InChIInChI=1S/C14H17N5OS/c1-4-10(12-16-7-8(2)17-12)18-13(20)11-9(3)19-6-5-15-14(19)21-11/h5-7,10H,4H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyMFURTHABKGANLI-UHFFFAOYSA-N
XLogP2.62
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 166245430) is 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is CCC(NC(=O)c1sc2nccn2c1C)c1ncc(C)[nH]1.
What is the InChIKey of 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is MFURTHABKGANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-4-10(12-16-7-8(2)17-12)18-13(20)11-9(3)19-6-5-15-14(19)21-11/h5-7,10H,4H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 166245430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).