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

C14H16N4OS2 — CID 70787077

IUPACN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cn3ccsc3n2)cs1
InChIInChI=1S/C14H16N4OS2/c1-9(2)12-15-10(8-21-12)6-17(3)13(19)11-7-18-4-5-20-14(18)16-11/h4-5,7-9H,6H2,1-3H3
InChIKeyHEHPVTHEBRABIS-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.25
Rot. Bonds4

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

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70787077) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70787077
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cn3ccsc3n2)cs1
InChIInChI=1S/C14H16N4OS2/c1-9(2)12-15-10(8-21-12)6-17(3)13(19)11-7-18-4-5-20-14(18)16-11/h4-5,7-9H,6H2,1-3H3
InChIKeyHEHPVTHEBRABIS-UHFFFAOYSA-N
XLogP3.25
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70787077) is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is CC(C)c1nc(CN(C)C(=O)c2cn3ccsc3n2)cs1.
What is the InChIKey of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is HEHPVTHEBRABIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-9(2)12-15-10(8-21-12)6-17(3)13(19)11-7-18-4-5-20-14(18)16-11/h4-5,7-9H,6H2,1-3H3.
What are the key properties of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70787077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).