5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine

C8H10N4S2 — CID 28782689

IUPAC5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCn1cc(CSc2cnc(N)s2)cn1
InChIInChI=1S/C8H10N4S2/c1-12-4-6(2-11-12)5-13-7-3-10-8(9)14-7/h2-4H,5H2,1H3,(H2,9,10)
InChIKeyQWPWHWJJCDYXIP-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.75
Rot. Bonds3

About 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine

5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 28782689) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID28782689
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCn1cc(CSc2cnc(N)s2)cn1
InChIInChI=1S/C8H10N4S2/c1-12-4-6(2-11-12)5-13-7-3-10-8(9)14-7/h2-4H,5H2,1H3,(H2,9,10)
InChIKeyQWPWHWJJCDYXIP-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 24706770
5-(3-methylbut-2-enylsulfanyl)-1,3-thiazol-2-amine
CID 24699476
5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250010
5-hexadecylsulfanyl-1,3-thiazol-2-amine
CID 154328112
3-[(1-methylpyrazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705727
1-(3,5-dimethylphenyl)-2-[(1-methylpyrazol-4-yl)methylsulfanyl]imidazole
CID 51111847
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782690
5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine
CID 163468710
5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43249713
5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine
CID 43250120
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249855
2-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-benzoxazol-5-amine
CID 62127876

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 28782689) is 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine is Cn1cc(CSc2cnc(N)s2)cn1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is QWPWHWJJCDYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-12-4-6(2-11-12)5-13-7-3-10-8(9)14-7/h2-4H,5H2,1H3,(H2,9,10).
What are the key properties of 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 226.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28782689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).