5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide

C10H18N4OS — CID 80617547

IUPAC5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC(C)CC)s1
InChIInChI=1S/C10H18N4OS/c1-4-7(3)6-12-8(15)9-13-14-10(16-9)11-5-2/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyRPWXYWULGYCKDV-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.75
Rot. Bonds6

About 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617547) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617547
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC(C)CC)s1
InChIInChI=1S/C10H18N4OS/c1-4-7(3)6-12-8(15)9-13-14-10(16-9)11-5-2/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyRPWXYWULGYCKDV-UHFFFAOYSA-N
XLogP1.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724
N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357196
N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615426
5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80616601
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199
5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106900743
5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617367
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617545

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide (CID 80617547) is 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCC(C)CC)s1.
What is the InChIKey of 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RPWXYWULGYCKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-7(3)6-12-8(15)9-13-14-10(16-9)11-5-2/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).