3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine

C7H10N4S — CID 118969919

IUPAC3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine
SMILESCN1C(N)=CSC1c1cn[nH]c1
InChIInChI=1S/C7H10N4S/c1-11-6(8)4-12-7(11)5-2-9-10-3-5/h2-4,7H,8H2,1H3,(H,9,10)
InChIKeyAERJWMHEYOBNOS-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.84
Rot. Bonds1

About 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine

3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine (PubChem CID 118969919) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine.

Molecular Properties

Compound Name3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine
PubChem CID118969919
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine
SMILESCN1C(N)=CSC1c1cn[nH]c1
InChIInChI=1S/C7H10N4S/c1-11-6(8)4-12-7(11)5-2-9-10-3-5/h2-4,7H,8H2,1H3,(H,9,10)
InChIKeyAERJWMHEYOBNOS-UHFFFAOYSA-N
XLogP0.84
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrazol-4-ylmethyl)-1H-imidazole-2-thione
CID 21272619
1H-pyrazol-4-ylmethyl carbamimidothioate
CID 66954446
4-[(Methylsulfanyl)methyl]-1h-pyrazole
CID 126994350
2-[methyl(1H-pyrazol-4-ylmethyl)amino]ethanethiol
CID 139923556
2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazol-4-amine
CID 146490080
4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole
CID 149148160
5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine
CID 173196989
3-(1H-pyrazol-4-ylmethyl)-1,2-dihydroimidazole-2-carbothialdehyde
CID 174522983
1-methyl-6-methylsulfanyl-2-(1H-pyrazol-4-yl)-2H-pyrimidine-5-carbonitrile
CID 175688656
3-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 61000027
1-methyl-1-(1H-pyrazol-4-ylmethyl)thiourea
CID 64045961
3-ethylsulfanyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 116503863

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine?
The IUPAC name of 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine (CID 118969919) is 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine.
What is the SMILES notation for 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine?
The canonical SMILES for 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine is CN1C(N)=CSC1c1cn[nH]c1.
What is the InChIKey of 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine?
The InChIKey is AERJWMHEYOBNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-11-6(8)4-12-7(11)5-2-9-10-3-5/h2-4,7H,8H2,1H3,(H,9,10).
What are the key properties of 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine?
3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine has a molecular weight of 182.25 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1H-pyrazol-4-yl)-2H-1,3-thiazol-4-amine is sourced from PubChem (CID 118969919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).