N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C15H14N4O2S2 — CID 135990251

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2csc(-c3cccs3)n2)n1
InChIInChI=1S/C15H14N4O2S2/c1-9-7-13(20)19-12(17-9)4-5-16-14(21)10-8-23-15(18-10)11-3-2-6-22-11/h2-3,6-8H,4-5H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyNUODSFMRUKRMDD-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 135990251) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID135990251
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2csc(-c3cccs3)n2)n1
InChIInChI=1S/C15H14N4O2S2/c1-9-7-13(20)19-12(17-9)4-5-16-14(21)10-8-23-15(18-10)11-3-2-6-22-11/h2-3,6-8H,4-5H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyNUODSFMRUKRMDD-UHFFFAOYSA-N
XLogP2.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2738814
N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
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5-methyl-2-thiophen-2-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733041
US9216962, Cfh325-B
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methyl (E)-4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]but-2-enoate
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N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 3238025
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24473064
N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 40163347
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CID 56901527
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N-methyl-3-(2-oxo-1(2H)-pyridinyl)-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 135990251) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)c2csc(-c3cccs3)n2)n1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NUODSFMRUKRMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-9-7-13(20)19-12(17-9)4-5-16-14(21)10-8-23-15(18-10)11-3-2-6-22-11/h2-3,6-8H,4-5H2,1H3,(H,16,21)(H,17,19,20).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135990251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).