(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C16H18N4S — CID 95277558

IUPAC(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H18N4S/c1-13(11-20-9-5-8-18-20)17-10-15-12-21-16(19-15)14-6-3-2-4-7-14/h2-9,12-13,17H,10-11H2,1H3/t13-/m1/s1
InChIKeyIPGKPLPNCOKNJW-CYBMUJFWSA-N
MW298.42 g/mol
LogP3.18
Rot. Bonds6

About (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95277558) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95277558
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H18N4S/c1-13(11-20-9-5-8-18-20)17-10-15-12-21-16(19-15)14-6-3-2-4-7-14/h2-9,12-13,17H,10-11H2,1H3/t13-/m1/s1
InChIKeyIPGKPLPNCOKNJW-CYBMUJFWSA-N
XLogP3.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 95277558) is (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is C[C@H](Cn1cccn1)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is IPGKPLPNCOKNJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N4S/c1-13(11-20-9-5-8-18-20)17-10-15-12-21-16(19-15)14-6-3-2-4-7-14/h2-9,12-13,17H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 298.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95277558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).