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

C14H16N4O2S — CID 72850116

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCc2nc3c(s2)CCC3)c(=O)[nH]1
InChIInChI=1S/C14H16N4O2S/c1-8-16-7-9(14(20)17-8)13(19)15-6-5-12-18-10-3-2-4-11(10)21-12/h7H,2-6H2,1H3,(H,15,19)(H,16,17,20)
InChIKeySFAFYDNOHUVRIV-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.00
Rot. Bonds4

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

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72850116) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72850116
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCc2nc3c(s2)CCC3)c(=O)[nH]1
InChIInChI=1S/C14H16N4O2S/c1-8-16-7-9(14(20)17-8)13(19)15-6-5-12-18-10-3-2-4-11(10)21-12/h7H,2-6H2,1H3,(H,15,19)(H,16,17,20)
InChIKeySFAFYDNOHUVRIV-UHFFFAOYSA-N
XLogP1.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
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-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72850116) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCc2nc3c(s2)CCC3)c(=O)[nH]1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SFAFYDNOHUVRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-16-7-9(14(20)17-8)13(19)15-6-5-12-18-10-3-2-4-11(10)21-12/h7H,2-6H2,1H3,(H,15,19)(H,16,17,20).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 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-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72850116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).