2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide

C14H18N4O2S — CID 72854014

IUPAC2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(CCOC)Cc2nccs2)cn1
InChIInChI=1S/C14H18N4O2S/c1-3-12-16-8-11(9-17-12)14(19)18(5-6-20-2)10-13-15-4-7-21-13/h4,7-9H,3,5-6,10H2,1-2H3
InChIKeyFWPHBAHVPFYLAZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.78
Rot. Bonds7

About 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide

2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 72854014) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID72854014
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(CCOC)Cc2nccs2)cn1
InChIInChI=1S/C14H18N4O2S/c1-3-12-16-8-11(9-17-12)14(19)18(5-6-20-2)10-13-15-4-7-21-13/h4,7-9H,3,5-6,10H2,1-2H3
InChIKeyFWPHBAHVPFYLAZ-UHFFFAOYSA-N
XLogP1.78
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide (CID 72854014) is 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(CCOC)Cc2nccs2)cn1.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is FWPHBAHVPFYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-12-16-8-11(9-17-12)14(19)18(5-6-20-2)10-13-15-4-7-21-13/h4,7-9H,3,5-6,10H2,1-2H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide?
2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72854014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).