1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C16H24N4OS — CID 71929282

IUPAC1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)c1nc(CNCC2CCOC2c2cnn(C)c2)cs1
InChIInChI=1S/C16H24N4OS/c1-11(2)16-19-14(10-22-16)8-17-6-12-4-5-21-15(12)13-7-18-20(3)9-13/h7,9-12,15,17H,4-6,8H2,1-3H3
InChIKeyADDHRXIGKLMTAH-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.87
Rot. Bonds6

About 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine

1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 71929282) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID71929282
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)c1nc(CNCC2CCOC2c2cnn(C)c2)cs1
InChIInChI=1S/C16H24N4OS/c1-11(2)16-19-14(10-22-16)8-17-6-12-4-5-21-15(12)13-7-18-20(3)9-13/h7,9-12,15,17H,4-6,8H2,1-3H3
InChIKeyADDHRXIGKLMTAH-UHFFFAOYSA-N
XLogP2.87
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 71929282) is 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine is CC(C)c1nc(CNCC2CCOC2c2cnn(C)c2)cs1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is ADDHRXIGKLMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-11(2)16-19-14(10-22-16)8-17-6-12-4-5-21-15(12)13-7-18-20(3)9-13/h7,9-12,15,17H,4-6,8H2,1-3H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 320.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 71929282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).