N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

C14H17N5O2S — CID 121032570

IUPACN-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCCN(CC)C(=O)Cc1csc(NC(=O)c2ncccn2)n1
InChIInChI=1S/C14H17N5O2S/c1-3-19(4-2)11(20)8-10-9-22-14(17-10)18-13(21)12-15-6-5-7-16-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,21)
InChIKeyVIJSNBZKQQSUCS-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.60
Rot. Bonds6

About N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (PubChem CID 121032570) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
PubChem CID121032570
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCCN(CC)C(=O)Cc1csc(NC(=O)c2ncccn2)n1
InChIInChI=1S/C14H17N5O2S/c1-3-19(4-2)11(20)8-10-9-22-14(17-10)18-13(21)12-15-6-5-7-16-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,21)
InChIKeyVIJSNBZKQQSUCS-UHFFFAOYSA-N
XLogP1.60
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032600
N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 31832978
N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032605
N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032612
N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032647
N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032745
N-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55773731
ethyl 1-[2-[2-(pyrimidine-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate
CID 121032577
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 146024002
N-[4-[2-[(2-methyl-1,3-benzothiazol-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032746
N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4125075
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51191452

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (CID 121032570) is N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is CCN(CC)C(=O)Cc1csc(NC(=O)c2ncccn2)n1.
What is the InChIKey of N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The InChIKey is VIJSNBZKQQSUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-3-19(4-2)11(20)8-10-9-22-14(17-10)18-13(21)12-15-6-5-7-16-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,21).
What are the key properties of N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 121032570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).