N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine

C12H18N4S — CID 55153988

IUPACN-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2c(C)nn(CC)c2C)cs1
InChIInChI=1S/C12H18N4S/c1-5-13-12-14-10(7-17-12)11-8(3)15-16(6-2)9(11)4/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyIJFNXUNOMHHPEQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.08
Rot. Bonds4

About N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine

N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 55153988) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID55153988
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2c(C)nn(CC)c2C)cs1
InChIInChI=1S/C12H18N4S/c1-5-13-12-14-10(7-17-12)11-8(3)15-16(6-2)9(11)4/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyIJFNXUNOMHHPEQ-UHFFFAOYSA-N
XLogP3.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole
CID 62941607
1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
CID 63379227
N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 62941260
N-ethyl-4-(5-methylthiophen-3-yl)-1,3-thiazol-2-amine
CID 131181990
6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyridin-2-amine
CID 63806034
4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 62478034
methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384515
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442767
8-bromo-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115404965
4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438223
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 55153988) is N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine is CCNc1nc(-c2c(C)nn(CC)c2C)cs1.
What is the InChIKey of N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is IJFNXUNOMHHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-5-13-12-14-10(7-17-12)11-8(3)15-16(6-2)9(11)4/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55153988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).