N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

C15H19N5OS — CID 70744611

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C15H19N5OS/c1-15(2,3)12-7-10(17-18-12)8-19(4)13(21)11-9-20-5-6-22-14(20)16-11/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyDIMCDAFYXVNETB-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.69
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70744611) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70744611
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C15H19N5OS/c1-15(2,3)12-7-10(17-18-12)8-19(4)13(21)11-9-20-5-6-22-14(20)16-11/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyDIMCDAFYXVNETB-UHFFFAOYSA-N
XLogP2.69
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70744611) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cn2ccsc2n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is DIMCDAFYXVNETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-15(2,3)12-7-10(17-18-12)8-19(4)13(21)11-9-20-5-6-22-14(20)16-11/h5-7,9H,8H2,1-4H3,(H,17,18).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70744611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).