N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine

C16H18N4S — CID 82528750

IUPACN-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cnn(-c3cccc(C)c3)c2C)cs1
InChIInChI=1S/C16H18N4S/c1-4-17-16-19-15(10-21-16)14-9-18-20(12(14)3)13-7-5-6-11(2)8-13/h5-10H,4H2,1-3H3,(H,17,19)
InChIKeyRTJPAGMFGWJWPD-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.04
Rot. Bonds4

About N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine

N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 82528750) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID82528750
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cnn(-c3cccc(C)c3)c2C)cs1
InChIInChI=1S/C16H18N4S/c1-4-17-16-19-15(10-21-16)14-9-18-20(12(14)3)13-7-5-6-11(2)8-13/h5-10H,4H2,1-3H3,(H,17,19)
InChIKeyRTJPAGMFGWJWPD-UHFFFAOYSA-N
XLogP4.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol
CID 58910928
4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528526
N-(1H-indazol-4-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 58911051
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528304
2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
CID 139235210
N-ethyl-5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528380
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440879
4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 82774650
N-ethyl-4-(5-methylthiophen-3-yl)-1,3-thiazol-2-amine
CID 131181990
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine (CID 82528750) is N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine is CCNc1nc(-c2cnn(-c3cccc(C)c3)c2C)cs1.
What is the InChIKey of N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is RTJPAGMFGWJWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-4-17-16-19-15(10-21-16)14-9-18-20(12(14)3)13-7-5-6-11(2)8-13/h5-10H,4H2,1-3H3,(H,17,19).
What are the key properties of N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine?
N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 298.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82528750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).