N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C14H16N4S — CID 43543944

IUPACN-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCn1cc(NC2=NCC(c3ccccc3)S2)cn1
InChIInChI=1S/C14H16N4S/c1-2-18-10-12(8-16-18)17-14-15-9-13(19-14)11-6-4-3-5-7-11/h3-8,10,13H,2,9H2,1H3,(H,15,17)
InChIKeyWKSANRXQEOUJRH-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.16
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43543944) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43543944
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC NameN-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCn1cc(NC2=NCC(c3ccccc3)S2)cn1
InChIInChI=1S/C14H16N4S/c1-2-18-10-12(8-16-18)17-14-15-9-13(19-14)11-6-4-3-5-7-11/h3-8,10,13H,2,9H2,1H3,(H,15,17)
InChIKeyWKSANRXQEOUJRH-UHFFFAOYSA-N
XLogP3.16
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439586
5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 62304214
N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine
CID 79979564
2-[(1-ethylpyrazol-4-yl)amino]benzoic acid
CID 62231031
4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177162
N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956902
N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 64687827
1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
CID 43543523
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 62993062
N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275070
1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine
CID 43543494
N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 46879738

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43543944) is N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CCn1cc(NC2=NCC(c3ccccc3)S2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WKSANRXQEOUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-18-10-12(8-16-18)17-14-15-9-13(19-14)11-6-4-3-5-7-11/h3-8,10,13H,2,9H2,1H3,(H,15,17).
What are the key properties of N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43543944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).