N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide

C16H23N5OS — CID 91762359

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C16H23N5OS/c1-16(2,3)13-7-11(18-19-13)9-20(4)14(22)8-12-10-23-15-17-5-6-21(12)15/h7,10H,5-6,8-9H2,1-4H3,(H,18,19)
InChIKeyHPEWJXLYVBYQOL-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.32
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide (PubChem CID 91762359) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide
PubChem CID91762359
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C16H23N5OS/c1-16(2,3)13-7-11(18-19-13)9-20(4)14(22)8-12-10-23-15-17-5-6-21(12)15/h7,10H,5-6,8-9H2,1-4H3,(H,18,19)
InChIKeyHPEWJXLYVBYQOL-UHFFFAOYSA-N
XLogP2.32
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.32
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]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide (CID 91762359) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CC1=CSC2=NCCN12.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide?
The InChIKey is HPEWJXLYVBYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-16(2,3)13-7-11(18-19-13)9-20(4)14(22)8-12-10-23-15-17-5-6-21(12)15/h7,10H,5-6,8-9H2,1-4H3,(H,18,19).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide has a molecular weight of 333.46 g/mol, XLogP of 2.32, 4 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]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 91762359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).