N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine

C16H18N4S — CID 116812361

IUPACN-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1ncc(-c2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C16H18N4S/c1-12(2)8-17-16-18-10-15(21-16)13-9-19-20(11-13)14-6-4-3-5-7-14/h3-7,9-12H,8H2,1-2H3,(H,17,18)
InChIKeyOMTTYGVEHFOUOG-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.06
Rot. Bonds5

About N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine

N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 116812361) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID116812361
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1ncc(-c2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C16H18N4S/c1-12(2)8-17-16-18-10-15(21-16)13-9-19-20(11-13)14-6-4-3-5-7-14/h3-7,9-12H,8H2,1-2H3,(H,17,18)
InChIKeyOMTTYGVEHFOUOG-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
3-[5-(1-phenylpyrazol-4-yl)thiophen-2-yl]butan-1-amine
CID 82542315
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine
CID 115914335
2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 176630308
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279
5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
CID 83291327
N-(1-amino-4-methylpentan-2-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 119588329
N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181579
2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133381734
5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812335

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 116812361) is N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine is CC(C)CNc1ncc(-c2cnn(-c3ccccc3)c2)s1.
What is the InChIKey of N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is OMTTYGVEHFOUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-12(2)8-17-16-18-10-15(21-16)13-9-19-20(11-13)14-6-4-3-5-7-14/h3-7,9-12H,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 298.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).