N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide

C16H22N4O2S — CID 138002743

IUPACN-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
SMILESCN(Cc1csc(C(C)(C)O)n1)C(=O)C1CCc2cncn2C1
InChIInChI=1S/C16H22N4O2S/c1-16(2,22)15-18-12(9-23-15)8-19(3)14(21)11-4-5-13-6-17-10-20(13)7-11/h6,9-11,22H,4-5,7-8H2,1-3H3
InChIKeyQQFVJZOPPFSIDN-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.79
Rot. Bonds4

About N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide

N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 138002743) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
PubChem CID138002743
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
SMILESCN(Cc1csc(C(C)(C)O)n1)C(=O)C1CCc2cncn2C1
InChIInChI=1S/C16H22N4O2S/c1-16(2,22)15-18-12(9-23-15)8-19(3)14(21)11-4-5-13-6-17-10-20(13)7-11/h6,9-11,22H,4-5,7-8H2,1-3H3
InChIKeyQQFVJZOPPFSIDN-UHFFFAOYSA-N
XLogP1.79
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide (CID 138002743) is N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide is CN(Cc1csc(C(C)(C)O)n1)C(=O)C1CCc2cncn2C1.
What is the InChIKey of N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is QQFVJZOPPFSIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-16(2,22)15-18-12(9-23-15)8-19(3)14(21)11-4-5-13-6-17-10-20(13)7-11/h6,9-11,22H,4-5,7-8H2,1-3H3.
What are the key properties of N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide?
N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 138002743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).