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

C10H15N5S — CID 102809474

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cn(C)nc2C)s1
InChIInChI=1S/C10H15N5S/c1-6(9-5-15(4)14-7(9)2)11-10-13-12-8(3)16-10/h5-6H,1-4H3,(H,11,13)
InChIKeyMDKGWBZUDVGUNH-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.06
Rot. Bonds3

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

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 102809474) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID102809474
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cn(C)nc2C)s1
InChIInChI=1S/C10H15N5S/c1-6(9-5-15(4)14-7(9)2)11-10-13-12-8(3)16-10/h5-6H,1-4H3,(H,11,13)
InChIKeyMDKGWBZUDVGUNH-UHFFFAOYSA-N
XLogP2.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-3-amine
CID 65197071
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 65192064
1-(1,3-dimethylpyrazol-4-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 65197277
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodoaniline
CID 65192267
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
CID 114050711

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 102809474) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)c2cn(C)nc2C)s1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MDKGWBZUDVGUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-6(9-5-15(4)14-7(9)2)11-10-13-12-8(3)16-10/h5-6H,1-4H3,(H,11,13).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102809474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).