N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide

C16H21N5OS — CID 154736217

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cn2c(CN(C)C(=O)c3ccnn3C(C)C)c(C)nc2s1
InChIInChI=1S/C16H21N5OS/c1-10(2)21-13(6-7-17-21)15(22)19(5)9-14-12(4)18-16-20(14)8-11(3)23-16/h6-8,10H,9H2,1-5H3
InChIKeyQXVSPJCTEPVUTJ-UHFFFAOYSA-N
MW331.45 g/mol
LogP3.06
Rot. Bonds4

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 154736217) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID154736217
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cn2c(CN(C)C(=O)c3ccnn3C(C)C)c(C)nc2s1
InChIInChI=1S/C16H21N5OS/c1-10(2)21-13(6-7-17-21)15(22)19(5)9-14-12(4)18-16-20(14)8-11(3)23-16/h6-8,10H,9H2,1-5H3
InChIKeyQXVSPJCTEPVUTJ-UHFFFAOYSA-N
XLogP3.06
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide (CID 154736217) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide is Cc1cn2c(CN(C)C(=O)c3ccnn3C(C)C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is QXVSPJCTEPVUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10(2)21-13(6-7-17-21)15(22)19(5)9-14-12(4)18-16-20(14)8-11(3)23-16/h6-8,10H,9H2,1-5H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 154736217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).