5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine

C11H17N5S — CID 103365063

IUPAC5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCc1nn(C)cc1CNc1snc(N)c1C
InChIInChI=1S/C11H17N5S/c1-4-9-8(6-16(3)14-9)5-13-11-7(2)10(12)15-17-11/h6,13H,4-5H2,1-3H3,(H2,12,15)
InChIKeyPIXFNYHSBQRXBS-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.94
Rot. Bonds4

About 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine

5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103365063) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103365063
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCc1nn(C)cc1CNc1snc(N)c1C
InChIInChI=1S/C11H17N5S/c1-4-9-8(6-16(3)14-9)5-13-11-7(2)10(12)15-17-11/h6,13H,4-5H2,1-3H3,(H2,12,15)
InChIKeyPIXFNYHSBQRXBS-UHFFFAOYSA-N
XLogP1.94
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 112668224
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 112668218
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
CID 112668268
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 112672189
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine
CID 103384054
2-tert-butyl-4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 115991808
4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 112672208
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylsulfonyl-3-nitrothiophen-2-amine
CID 133444874

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (CID 103365063) is 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is CCc1nn(C)cc1CNc1snc(N)c1C.
What is the InChIKey of 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is PIXFNYHSBQRXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-4-9-8(6-16(3)14-9)5-13-11-7(2)10(12)15-17-11/h6,13H,4-5H2,1-3H3,(H2,12,15).
What are the key properties of 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 251.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).