N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine

C16H18N4S — CID 103714694

IUPACN-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCc1ccn(-c2ccccc2)n1)c1nccs1
InChIInChI=1S/C16H18N4S/c1-16(2,15-17-9-11-21-15)18-12-13-8-10-20(19-13)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3
InChIKeyDUQIFBFAOVGIFM-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.35
Rot. Bonds5

About N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine

N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103714694) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID103714694
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCc1ccn(-c2ccccc2)n1)c1nccs1
InChIInChI=1S/C16H18N4S/c1-16(2,15-17-9-11-21-15)18-12-13-8-10-20(19-13)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3
InChIKeyDUQIFBFAOVGIFM-UHFFFAOYSA-N
XLogP3.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 113224886
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 65264157
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 79790094
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113258267
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845069
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]aniline
CID 114132033
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 62885165
5-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 103729235
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115630853

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (CID 103714694) is N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)(NCc1ccn(-c2ccccc2)n1)c1nccs1.
What is the InChIKey of N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is DUQIFBFAOVGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-16(2,15-17-9-11-21-15)18-12-13-8-10-20(19-13)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3.
What are the key properties of N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 298.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103714694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).