N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

C16H20N4OS — CID 119064448

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)NCCc2nc3c(s2)CCC3)n1
InChIInChI=1S/C16H20N4OS/c1-10(2)15-17-8-6-12(20-15)16(21)18-9-7-14-19-11-4-3-5-13(11)22-14/h6,8,10H,3-5,7,9H2,1-2H3,(H,18,21)
InChIKeyABBZQOXYAAPHOE-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 119064448) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID119064448
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)NCCc2nc3c(s2)CCC3)n1
InChIInChI=1S/C16H20N4OS/c1-10(2)15-17-8-6-12(20-15)16(21)18-9-7-14-19-11-4-3-5-13(11)22-14/h6,8,10H,3-5,7,9H2,1-2H3,(H,18,21)
InChIKeyABBZQOXYAAPHOE-UHFFFAOYSA-N
XLogP2.52
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 119064448) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)NCCc2nc3c(s2)CCC3)n1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ABBZQOXYAAPHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10(2)15-17-8-6-12(20-15)16(21)18-9-7-14-19-11-4-3-5-13(11)22-14/h6,8,10H,3-5,7,9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 119064448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).