6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile

C10H8N4S2 — CID 107551349

IUPAC6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nc(C)cs2)n1
InChIInChI=1S/C10H8N4S2/c1-6-3-8(4-11)14-9(12-6)16-10-13-7(2)5-15-10/h3,5H,1-2H3
InChIKeyCTYDYQZHPKUDDO-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.57
Rot. Bonds2

About 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile

6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile (PubChem CID 107551349) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
PubChem CID107551349
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nc(C)cs2)n1
InChIInChI=1S/C10H8N4S2/c1-6-3-8(4-11)14-9(12-6)16-10-13-7(2)5-15-10/h3,5H,1-2H3
InChIKeyCTYDYQZHPKUDDO-UHFFFAOYSA-N
XLogP2.57
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile (CID 107551349) is 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Sc2nc(C)cs2)n1.
What is the InChIKey of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The InChIKey is CTYDYQZHPKUDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c1-6-3-8(4-11)14-9(12-6)16-10-13-7(2)5-15-10/h3,5H,1-2H3.
What are the key properties of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile has a molecular weight of 248.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107551349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).