N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C18H17N5OS — CID 56748599

IUPACN,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N(C)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H17N5OS/c1-12-16(23-8-9-25-18(23)20-12)17(24)22(2)11-14-10-19-21-15(14)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyAYUDIJPGFTVUFF-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.37
Rot. Bonds4

About N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 56748599) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID56748599
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N(C)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H17N5OS/c1-12-16(23-8-9-25-18(23)20-12)17(24)22(2)11-14-10-19-21-15(14)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyAYUDIJPGFTVUFF-UHFFFAOYSA-N
XLogP3.37
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 56748599) is N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)N(C)Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is AYUDIJPGFTVUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12-16(23-8-9-25-18(23)20-12)17(24)22(2)11-14-10-19-21-15(14)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 56748599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).