N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide

C15H20N4OS — CID 72930807

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC(CC)c2nc(C)c(C)s2)cn1
InChIInChI=1S/C15H20N4OS/c1-5-12(15-18-9(3)10(4)21-15)19-14(20)11-7-16-13(6-2)17-8-11/h7-8,12H,5-6H2,1-4H3,(H,19,20)
InChIKeyWMEZNZJEOQCNKB-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.99
Rot. Bonds5

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide (PubChem CID 72930807) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
PubChem CID72930807
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC(CC)c2nc(C)c(C)s2)cn1
InChIInChI=1S/C15H20N4OS/c1-5-12(15-18-9(3)10(4)21-15)19-14(20)11-7-16-13(6-2)17-8-11/h7-8,12H,5-6H2,1-4H3,(H,19,20)
InChIKeyWMEZNZJEOQCNKB-UHFFFAOYSA-N
XLogP2.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
CID 118765250
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-methylimidazole-4-carboxamide
CID 118775956
2-amino-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118763339
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 91766476
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91778058
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125161813
1-butan-2-yl-3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]urea
CID 110628697
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118766836
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97154885

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide (CID 72930807) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide is CCc1ncc(C(=O)NC(CC)c2nc(C)c(C)s2)cn1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide?
The InChIKey is WMEZNZJEOQCNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-5-12(15-18-9(3)10(4)21-15)19-14(20)11-7-16-13(6-2)17-8-11/h7-8,12H,5-6H2,1-4H3,(H,19,20).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 72930807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).