5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine

C12H16N4S2 — CID 79774624

IUPAC5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2nccc(C)n2)s1
InChIInChI=1S/C12H16N4S2/c1-3-5-13-11-15-7-10(18-11)8-17-12-14-6-4-9(2)16-12/h4,6-7H,3,5,8H2,1-2H3,(H,13,15)
InChIKeyUFRFMAYOKUKBMQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.36
Rot. Bonds6

About 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine

5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774624) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79774624
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2nccc(C)n2)s1
InChIInChI=1S/C12H16N4S2/c1-3-5-13-11-15-7-10(18-11)8-17-12-14-6-4-9(2)16-12/h4,6-7H,3,5,8H2,1-2H3,(H,13,15)
InChIKeyUFRFMAYOKUKBMQ-UHFFFAOYSA-N
XLogP3.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine (CID 79774624) is 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CSc2nccc(C)n2)s1.
What is the InChIKey of 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is UFRFMAYOKUKBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-3-5-13-11-15-7-10(18-11)8-17-12-14-6-4-9(2)16-12/h4,6-7H,3,5,8H2,1-2H3,(H,13,15).
What are the key properties of 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).