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

C13H12N4S — CID 71259693

IUPAC1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C13H12N4S/c14-11-6-15-17(7-11)8-12-9-18-13(16-12)10-4-2-1-3-5-10/h1-7,9H,8,14H2
InChIKeyRKDPBEMDBDPDLO-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.64
Rot. Bonds3

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

1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 71259693) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
PubChem CID71259693
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C13H12N4S/c14-11-6-15-17(7-11)8-12-9-18-13(16-12)10-4-2-1-3-5-10/h1-7,9H,8,14H2
InChIKeyRKDPBEMDBDPDLO-UHFFFAOYSA-N
XLogP2.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
CID 79530510
[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62769754
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 95322878
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 17277663
4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
CID 56528659
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
N-[[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62771879

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine (CID 71259693) is 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine is Nc1cnn(Cc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is RKDPBEMDBDPDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-11-6-15-17(7-11)8-12-9-18-13(16-12)10-4-2-1-3-5-10/h1-7,9H,8,14H2.
What are the key properties of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 256.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 71259693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).