N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine

C15H19N3S — CID 115595875

IUPACN-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine
SMILESc1ccc(-n2ccc(CNC3CCSCC3)n2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-15(5-3-1)18-9-6-14(17-18)12-16-13-7-10-19-11-8-13/h1-6,9,13,16H,7-8,10-12H2
InChIKeySUWZZEGKOZWKJB-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.86
Rot. Bonds4

About N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine

N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine (PubChem CID 115595875) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine
PubChem CID115595875
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine
SMILESc1ccc(-n2ccc(CNC3CCSCC3)n2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-15(5-3-1)18-9-6-14(17-18)12-16-13-7-10-19-11-8-13/h1-6,9,13,16H,7-8,10-12H2
InChIKeySUWZZEGKOZWKJB-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 62887093
1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 110934345
N-[(1-phenylpyrazol-3-yl)methyl]-7-oxaspiro[3.5]nonan-2-amine
CID 154865454
1-cyclopentyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110990848
2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
CID 62887278
N-[(1-phenyltetrazol-5-yl)methyl]thian-4-amine
CID 115595882
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126263
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine
CID 106008498
N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine
CID 83013966
[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol
CID 115897888
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018098

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine?
The IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine (CID 115595875) is N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine?
The canonical SMILES for N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine is c1ccc(-n2ccc(CNC3CCSCC3)n2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine?
The InChIKey is SUWZZEGKOZWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-4-15(5-3-1)18-9-6-14(17-18)12-16-13-7-10-19-11-8-13/h1-6,9,13,16H,7-8,10-12H2.
What are the key properties of N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine?
N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine has a molecular weight of 273.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine is sourced from PubChem (CID 115595875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).