N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H20N4OS — CID 75425823

IUPACN-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)CC1(CNC(=O)c2cnc(-c3ncccn3)s2)CC1
InChIInChI=1S/C16H20N4OS/c1-11(2)8-16(4-5-16)10-20-14(21)12-9-19-15(22-12)13-17-6-3-7-18-13/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,20,21)
InChIKeyNCYYINPOEQXOFM-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.16
Rot. Bonds6

About N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 75425823) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID75425823
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)CC1(CNC(=O)c2cnc(-c3ncccn3)s2)CC1
InChIInChI=1S/C16H20N4OS/c1-11(2)8-16(4-5-16)10-20-14(21)12-9-19-15(22-12)13-17-6-3-7-18-13/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,20,21)
InChIKeyNCYYINPOEQXOFM-UHFFFAOYSA-N
XLogP3.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 75425823) is N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CC(C)CC1(CNC(=O)c2cnc(-c3ncccn3)s2)CC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NCYYINPOEQXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11(2)8-16(4-5-16)10-20-14(21)12-9-19-15(22-12)13-17-6-3-7-18-13/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75425823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).