N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H19N5OS — CID 71848918

IUPACN-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCC(C#N)(CCC)NC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C16H19N5OS/c1-3-6-16(11-17,7-4-2)21-14(22)12-10-20-15(23-12)13-18-8-5-9-19-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,21,22)
InChIKeyXFINVZLYSRFJHE-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.19
Rot. Bonds7

About N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71848918) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71848918
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCC(C#N)(CCC)NC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C16H19N5OS/c1-3-6-16(11-17,7-4-2)21-14(22)12-10-20-15(23-12)13-18-8-5-9-19-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,21,22)
InChIKeyXFINVZLYSRFJHE-UHFFFAOYSA-N
XLogP3.19
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 71848918) is N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCCC(C#N)(CCC)NC(=O)c1cnc(-c2ncccn2)s1.
What is the InChIKey of N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XFINVZLYSRFJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-3-6-16(11-17,7-4-2)21-14(22)12-10-20-15(23-12)13-18-8-5-9-19-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,21,22).
What are the key properties of N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanoheptan-4-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71848918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).