N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C9H13N5S — CID 103858254

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cnn(C)c2C)s1
InChIInChI=1S/C9H13N5S/c1-6-8(5-11-14(6)3)4-10-9-13-12-7(2)15-9/h5H,4H2,1-3H3,(H,10,13)
InChIKeyUOFIGAOROJNERJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.50
Rot. Bonds3

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 103858254) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID103858254
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cnn(C)c2C)s1
InChIInChI=1S/C9H13N5S/c1-6-8(5-11-14(6)3)4-10-9-13-12-7(2)15-9/h5H,4H2,1-3H3,(H,10,13)
InChIKeyUOFIGAOROJNERJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924708
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 106049307
6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 103934019
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 79579160
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934107
5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924966

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 103858254) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2cnn(C)c2C)s1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UOFIGAOROJNERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-8(5-11-14(6)3)4-10-9-13-12-7(2)15-9/h5H,4H2,1-3H3,(H,10,13).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103858254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).