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

C11H17N5S — CID 4246961

IUPACN-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCCNc1nnc(-c2cc(C)nn2C)s1
InChIInChI=1S/C11H17N5S/c1-4-5-6-12-11-14-13-10(17-11)9-7-8(2)15-16(9)3/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyFTCDVJOWBOADRG-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.46
Rot. Bonds5

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

N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 4246961) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID4246961
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCCNc1nnc(-c2cc(C)nn2C)s1
InChIInChI=1S/C11H17N5S/c1-4-5-6-12-11-14-13-10(17-11)9-7-8(2)15-16(9)3/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyFTCDVJOWBOADRG-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 4765202
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56780555
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 N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine (CID 4246961) is N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine is CCCCNc1nnc(-c2cc(C)nn2C)s1.
What is the InChIKey of N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FTCDVJOWBOADRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-4-5-6-12-11-14-13-10(17-11)9-7-8(2)15-16(9)3/h7H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4246961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).