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

C10H15N5S — CID 103365158

IUPAC5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1nn(C)cc1CNc1snc(N)c1C
InChIInChI=1S/C10H15N5S/c1-6-9(11)14-16-10(6)12-4-8-5-15(3)13-7(8)2/h5,12H,4H2,1-3H3,(H2,11,14)
InChIKeyUPZAQTKEFRJJIZ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.69
Rot. Bonds3

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

5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103365158) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103365158
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1nn(C)cc1CNc1snc(N)c1C
InChIInChI=1S/C10H15N5S/c1-6-9(11)14-16-10(6)12-4-8-5-15(3)13-7(8)2/h5,12H,4H2,1-3H3,(H2,11,14)
InChIKeyUPZAQTKEFRJJIZ-UHFFFAOYSA-N
XLogP1.69
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365063
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine
CID 103384054
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929
3-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 112670593
4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363729
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104507128
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112672257
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 112672278
5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359501
2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 112668322

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (CID 103365158) is 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is Cc1nn(C)cc1CNc1snc(N)c1C.
What is the InChIKey of 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is UPZAQTKEFRJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-6-9(11)14-16-10(6)12-4-8-5-15(3)13-7(8)2/h5,12H,4H2,1-3H3,(H2,11,14).
What are the key properties of 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 237.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).