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

C10H15N5S — CID 566023

IUPACN-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCn2nc(C)cc2C)s1
InChIInChI=1S/C10H15N5S/c1-4-9-12-13-10(16-9)11-6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13)
InChIKeyQYXPTYSSELTPCK-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.98
Rot. Bonds4

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

N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 566023) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID566023
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCn2nc(C)cc2C)s1
InChIInChI=1S/C10H15N5S/c1-4-9-12-13-10(16-9)11-6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13)
InChIKeyQYXPTYSSELTPCK-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.98
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-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 3244409
5-isopropyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine hydrochloride
CID 70738470
5-[2-(3,5-Dimethyl-1H-pyrazol-1-YL)ethyl]-1,3,4-thiadiazol-2-amine
CID 6492922
N-bis[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]amine
CID 102176082
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
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131906669
5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine
CID 132969405
N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 4862590
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448088
2-(3,5-Dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450428

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (CID 566023) is N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NCn2nc(C)cc2C)s1.
What is the InChIKey of N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QYXPTYSSELTPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-4-9-12-13-10(16-9)11-6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13).
What are the key properties of N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 566023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).