N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide

C14H17N3OS — CID 47416565

IUPACN-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1
InChIInChI=1S/C14H17N3OS/c1-9-5-6-11(19-9)12(18)17-10-7-15-13(16-8-10)14(2,3)4/h5-8H,1-4H3,(H,17,18)
InChIKeyGDKHRRGPWUJUJS-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.40
Rot. Bonds2

About N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide

N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide (PubChem CID 47416565) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide
PubChem CID47416565
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1
InChIInChI=1S/C14H17N3OS/c1-9-5-6-11(19-9)12(18)17-10-7-15-13(16-8-10)14(2,3)4/h5-8H,1-4H3,(H,17,18)
InChIKeyGDKHRRGPWUJUJS-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide
CID 71936648
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
2-amino-N-(2-tert-butylpyrimidin-5-yl)-2-methylpropanamide
CID 119305616
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-(5-chloropyrazin-2-yl)-5-methylthiophene-2-carboxamide
CID 104964172
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 35277254
N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61292956
3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64529037
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide (CID 47416565) is N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is GDKHRRGPWUJUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-5-6-11(19-9)12(18)17-10-7-15-13(16-8-10)14(2,3)4/h5-8H,1-4H3,(H,17,18).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide?
N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 47416565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).