2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

C13H17N5S2 — CID 56795570

IUPAC2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCCc1cc(Sc2nnc(N3CCCC3)s2)nc(C)n1
InChIInChI=1S/C13H17N5S2/c1-3-10-8-11(15-9(2)14-10)19-13-17-16-12(20-13)18-6-4-5-7-18/h8H,3-7H2,1-2H3
InChIKeyYRHGRURRKGKRRE-UHFFFAOYSA-N
MW307.45 g/mol
LogP2.95
Rot. Bonds4

About 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 56795570) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID56795570
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC Name2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCCc1cc(Sc2nnc(N3CCCC3)s2)nc(C)n1
InChIInChI=1S/C13H17N5S2/c1-3-10-8-11(15-9(2)14-10)19-13-17-16-12(20-13)18-6-4-5-7-18/h8H,3-7H2,1-2H3
InChIKeyYRHGRURRKGKRRE-UHFFFAOYSA-N
XLogP2.95
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 126807207
N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886273
N-methyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47365036
N-(2-methyl-4-oxopentan-3-yl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 86827419
[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol
CID 66150710
4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133472657
(1S)-1-(3-bromophenyl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95055294
4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
CID 178092241
4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine
CID 133461474
ethyl (2R)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 30863385
2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
CID 126971307
N-(4-bromophenyl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60563882

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 56795570) is 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is CCc1cc(Sc2nnc(N3CCCC3)s2)nc(C)n1.
What is the InChIKey of 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is YRHGRURRKGKRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S2/c1-3-10-8-11(15-9(2)14-10)19-13-17-16-12(20-13)18-6-4-5-7-18/h8H,3-7H2,1-2H3.
What are the key properties of 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 307.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 56795570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).