1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine

C12H16N4OS — CID 62998323

IUPAC1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
SMILESc1csc(CNc2cnn(CC3CCCO3)c2)n1
InChIInChI=1S/C12H16N4OS/c1-2-11(17-4-1)9-16-8-10(6-15-16)14-7-12-13-3-5-18-12/h3,5-6,8,11,14H,1-2,4,7,9H2
InChIKeyRCCDRBRACOIORE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.13
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine

1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine (PubChem CID 62998323) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
PubChem CID62998323
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
SMILESc1csc(CNc2cnn(CC3CCCO3)c2)n1
InChIInChI=1S/C12H16N4OS/c1-2-11(17-4-1)9-16-8-10(6-15-16)14-7-12-13-3-5-18-12/h3,5-6,8,11,14H,1-2,4,7,9H2
InChIKeyRCCDRBRACOIORE-UHFFFAOYSA-N
XLogP2.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine (CID 62998323) is 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine is c1csc(CNc2cnn(CC3CCCO3)c2)n1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine?
The InChIKey is RCCDRBRACOIORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-11(17-4-1)9-16-8-10(6-15-16)14-7-12-13-3-5-18-12/h3,5-6,8,11,14H,1-2,4,7,9H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine?
1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 62998323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).