2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide

C14H17N3OS2 — CID 51498500

IUPAC2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N[C@@H](c2cccs2)C(C)C)cn1
InChIInChI=1S/C14H17N3OS2/c1-9(2)12(11-5-4-6-20-11)17-13(18)10-7-15-14(19-3)16-8-10/h4-9,12H,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyBTTYMVCDTMIGKL-GFCCVEGCSA-N
MW307.44 g/mol
LogP3.39
Rot. Bonds5

About 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide

2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide (PubChem CID 51498500) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
PubChem CID51498500
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N[C@@H](c2cccs2)C(C)C)cn1
InChIInChI=1S/C14H17N3OS2/c1-9(2)12(11-5-4-6-20-11)17-13(18)10-7-15-14(19-3)16-8-10/h4-9,12H,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyBTTYMVCDTMIGKL-GFCCVEGCSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-5-carboxamide
CID 46964063
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 55397848
2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 114917789
3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 104852226
N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 24569521
N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46613254
2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide
CID 51495335
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide (CID 51498500) is 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide is CSc1ncc(C(=O)N[C@@H](c2cccs2)C(C)C)cn1.
What is the InChIKey of 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide?
The InChIKey is BTTYMVCDTMIGKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9(2)12(11-5-4-6-20-11)17-13(18)10-7-15-14(19-3)16-8-10/h4-9,12H,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide?
2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 51498500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).