N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine

C9H12N4S — CID 565992

IUPACN-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(CNc2nccs2)n1
InChIInChI=1S/C9H12N4S/c1-7-5-8(2)13(12-7)6-11-9-10-3-4-14-9/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeySBUOEMVPDZVZKJ-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.03
Rot. Bonds3

About N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine

N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 565992) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID565992
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(CNc2nccs2)n1
InChIInChI=1S/C9H12N4S/c1-7-5-8(2)13(12-7)6-11-9-10-3-4-14-9/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeySBUOEMVPDZVZKJ-UHFFFAOYSA-N
XLogP2.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (CID 565992) is N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is Cc1cc(C)n(CNc2nccs2)n1.
What is the InChIKey of N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is SBUOEMVPDZVZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7-5-8(2)13(12-7)6-11-9-10-3-4-14-9/h3-5H,6H2,1-2H3,(H,10,11).
What are the key properties of N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 565992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).