5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine

C15H17N5S — CID 103384054

IUPAC5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCc1nn(C)cc1CNc1snc(N)c1-c1ccccc1
InChIInChI=1S/C15H17N5S/c1-10-12(9-20(2)18-10)8-17-15-13(14(16)19-21-15)11-6-4-3-5-7-11/h3-7,9,17H,8H2,1-2H3,(H2,16,19)
InChIKeyWNKPQPSQFVJVKP-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.05
Rot. Bonds4

About 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine

5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103384054) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103384054
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCc1nn(C)cc1CNc1snc(N)c1-c1ccccc1
InChIInChI=1S/C15H17N5S/c1-10-12(9-20(2)18-10)8-17-15-13(14(16)19-21-15)11-6-4-3-5-7-11/h3-7,9,17H,8H2,1-2H3,(H2,16,19)
InChIKeyWNKPQPSQFVJVKP-UHFFFAOYSA-N
XLogP3.05
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382325
4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378502
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 106044435
5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103384488
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365063
3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol
CID 103383658
2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol
CID 103382880
5-N-(2-methyl-3-methylsulfanylpropyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103381246
3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 112670593
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine (CID 103384054) is 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine is Cc1nn(C)cc1CNc1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is WNKPQPSQFVJVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-12(9-20(2)18-10)8-17-15-13(14(16)19-21-15)11-6-4-3-5-7-11/h3-7,9,17H,8H2,1-2H3,(H2,16,19).
What are the key properties of 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 299.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103384054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).