5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

C14H18N4OS — CID 106900743

IUPAC5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCc2ccc(CC)cc2)s1
InChIInChI=1S/C14H18N4OS/c1-3-10-5-7-11(8-6-10)9-16-12(19)13-17-18-14(20-13)15-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyLXHNVIOLXHWZNW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.46
Rot. Bonds6

About 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106900743) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID106900743
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCc2ccc(CC)cc2)s1
InChIInChI=1S/C14H18N4OS/c1-3-10-5-7-11(8-6-10)9-16-12(19)13-17-18-14(20-13)15-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyLXHNVIOLXHWZNW-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114126513
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114180965
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
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
N-[(4-bromophenyl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616317
5-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617001
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616644
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 106900743) is 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCc2ccc(CC)cc2)s1.
What is the InChIKey of 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LXHNVIOLXHWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-10-5-7-11(8-6-10)9-16-12(19)13-17-18-14(20-13)15-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106900743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).