N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine

C16H18N4S — CID 97228653

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine
SMILESCc1csc(CNc2ccn([C@@H](C)c3ccccc3)n2)n1
InChIInChI=1S/C16H18N4S/c1-12-11-21-16(18-12)10-17-15-8-9-20(19-15)13(2)14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyVANCHWLGWVLJRW-ZDUSSCGKSA-N
MW298.42 g/mol
LogP3.87
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine (PubChem CID 97228653) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine
PubChem CID97228653
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine
SMILESCc1csc(CNc2ccn([C@@H](C)c3ccccc3)n2)n1
InChIInChI=1S/C16H18N4S/c1-12-11-21-16(18-12)10-17-15-8-9-20(19-15)13(2)14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyVANCHWLGWVLJRW-ZDUSSCGKSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine (CID 97228653) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine is Cc1csc(CNc2ccn([C@@H](C)c3ccccc3)n2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine?
The InChIKey is VANCHWLGWVLJRW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4S/c1-12-11-21-16(18-12)10-17-15-8-9-20(19-15)13(2)14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine has a molecular weight of 298.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1S)-1-phenylethyl]pyrazol-3-amine is sourced from PubChem (CID 97228653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).