4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine

C12H16N4OS — CID 84584585

IUPAC4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCn1cc(-c2csc(NC3CCOCC3)n2)cn1
InChIInChI=1S/C12H16N4OS/c1-16-7-9(6-13-16)11-8-18-12(15-11)14-10-2-4-17-5-3-10/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKeyDQEFSTSKQLZMKX-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.13
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine

4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 84584585) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine
PubChem CID84584585
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCn1cc(-c2csc(NC3CCOCC3)n2)cn1
InChIInChI=1S/C12H16N4OS/c1-16-7-9(6-13-16)11-8-18-12(15-11)14-10-2-4-17-5-3-10/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKeyDQEFSTSKQLZMKX-UHFFFAOYSA-N
XLogP2.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine (CID 84584585) is 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine is Cn1cc(-c2csc(NC3CCOCC3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is DQEFSTSKQLZMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-16-7-9(6-13-16)11-8-18-12(15-11)14-10-2-4-17-5-3-10/h6-8,10H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine?
4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 84584585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).