3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine

C14H22N4S — CID 103030279

IUPAC3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1scnc1C
InChIInChI=1S/C14H22N4S/c1-4-7-15-13(14-11(2)16-10-19-14)6-5-12-8-17-18(3)9-12/h8-10,13,15H,4-7H2,1-3H3
InChIKeyTXSJRIUMKSZFEO-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.86
Rot. Bonds7

About 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine

3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (PubChem CID 103030279) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
PubChem CID103030279
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1scnc1C
InChIInChI=1S/C14H22N4S/c1-4-7-15-13(14-11(2)16-10-19-14)6-5-12-8-17-18(3)9-12/h8-10,13,15H,4-7H2,1-3H3
InChIKeyTXSJRIUMKSZFEO-UHFFFAOYSA-N
XLogP2.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (CID 103030279) is 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)c1scnc1C.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The InChIKey is TXSJRIUMKSZFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-7-15-13(14-11(2)16-10-19-14)6-5-12-8-17-18(3)9-12/h8-10,13,15H,4-7H2,1-3H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103030279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).