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

C11H16N4S — CID 115735773

IUPAC5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCc2csc(C)n2)c1C
InChIInChI=1S/C11H16N4S/c1-4-10-7(2)11(15-14-10)12-5-9-6-16-8(3)13-9/h6H,4-5H2,1-3H3,(H2,12,14,15)
InChIKeyRKAILZVWLSGUCX-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.66
Rot. Bonds4

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

5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine (PubChem CID 115735773) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine
PubChem CID115735773
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCc2csc(C)n2)c1C
InChIInChI=1S/C11H16N4S/c1-4-10-7(2)11(15-14-10)12-5-9-6-16-8(3)13-9/h6H,4-5H2,1-3H3,(H2,12,14,15)
InChIKeyRKAILZVWLSGUCX-UHFFFAOYSA-N
XLogP2.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 71914474
2-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80986232
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine
CID 115735769
2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807145
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile
CID 62672892

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine (CID 115735773) is 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine is CCc1[nH]nc(NCc2csc(C)n2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine?
The InChIKey is RKAILZVWLSGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-10-7(2)11(15-14-10)12-5-9-6-16-8(3)13-9/h6H,4-5H2,1-3H3,(H2,12,14,15).
What are the key properties of 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine has a molecular weight of 236.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115735773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).