4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole

C11H13N3S2 — CID 2322538

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1cc(C)nc(SCc2csc(C)n2)n1
InChIInChI=1S/C11H13N3S2/c1-7-4-8(2)13-11(12-7)16-6-10-5-15-9(3)14-10/h4-5H,6H2,1-3H3
InChIKeyVHZPVPBVBMPZSJ-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.15
Rot. Bonds3

About 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole

4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole (PubChem CID 2322538) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
PubChem CID2322538
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1cc(C)nc(SCc2csc(C)n2)n1
InChIInChI=1S/C11H13N3S2/c1-7-4-8(2)13-11(12-7)16-6-10-5-15-9(3)14-10/h4-5H,6H2,1-3H3
InChIKeyVHZPVPBVBMPZSJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3-thiazol-2-amine
CID 683952
Thiazolo(3,2-a)pyrimidin-4-ium, 3,5,7-trimethyl-, perchlorate
CID 206752
Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-
CID 203669
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
2-N,4-N,4-N,6-tetramethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 53539526
4,6-Dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 747183
3,5,7-Trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 206753
4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 125137571
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine
CID 138014686
2-[3-(4,6-Dimethylpyrimidin-2-yl)azetidin-1-yl]-4-ethyl-1,3-thiazole
CID 138019090
2-[4-Methyl-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 90749691
4,5-Dimethyl-2-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
CID 91357608

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole (CID 2322538) is 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole is Cc1cc(C)nc(SCc2csc(C)n2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The InChIKey is VHZPVPBVBMPZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-7-4-8(2)13-11(12-7)16-6-10-5-15-9(3)14-10/h4-5H,6H2,1-3H3.
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole has a molecular weight of 251.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 2322538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).