5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C11H17N5S — CID 4536700

IUPAC5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(NCC(C)C)s2)nn1C
InChIInChI=1S/C11H17N5S/c1-7(2)6-12-11-14-13-10(17-11)9-5-8(3)16(4)15-9/h5,7H,6H2,1-4H3,(H,12,14)
InChIKeyYEDZNQCMZGOHHV-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.31
Rot. Bonds4

About 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 4536700) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID4536700
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(NCC(C)C)s2)nn1C
InChIInChI=1S/C11H17N5S/c1-7(2)6-12-11-14-13-10(17-11)9-5-8(3)16(4)15-9/h5,7H,6H2,1-4H3,(H,12,14)
InChIKeyYEDZNQCMZGOHHV-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 5147753
N-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 566023
5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 4765629
5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 4765202
5-isopropyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine hydrochloride
CID 70738470
N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-5-isopropyl-1,3,4-thiadiazol-2-amine
CID 70771129
N-[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-yl]-N-isobutylamine
CID 756792
5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 842840
N-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 4143234
5-[2-(3,5-Dimethyl-1H-pyrazol-1-YL)ethyl]-1,3,4-thiadiazol-2-amine
CID 6492922
5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 4184673
2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17415179

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 4536700) is 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is Cc1cc(-c2nnc(NCC(C)C)s2)nn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YEDZNQCMZGOHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(2)6-12-11-14-13-10(17-11)9-5-8(3)16(4)15-9/h5,7H,6H2,1-4H3,(H,12,14).
What are the key properties of 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4536700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).