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

C9H13N7OS — CID 114126513

IUPAC5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCc2ncn(C)n2)s1
InChIInChI=1S/C9H13N7OS/c1-3-10-9-14-13-8(18-9)7(17)11-4-6-12-5-16(2)15-6/h5H,3-4H2,1-2H3,(H,10,14)(H,11,17)
InChIKeyGOEOBRJETUTGDM-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.03
Rot. Bonds5

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

5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114126513) has the molecular formula C9H13N7OS and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID114126513
Molecular FormulaC9H13N7OS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCc2ncn(C)n2)s1
InChIInChI=1S/C9H13N7OS/c1-3-10-9-14-13-8(18-9)7(17)11-4-6-12-5-16(2)15-6/h5H,3-4H2,1-2H3,(H,10,14)(H,11,17)
InChIKeyGOEOBRJETUTGDM-UHFFFAOYSA-N
XLogP0.03
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106900743
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114180965
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103885543
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
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-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 113345383
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 114126513) is 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCc2ncn(C)n2)s1.
What is the InChIKey of 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GOEOBRJETUTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7OS/c1-3-10-9-14-13-8(18-9)7(17)11-4-6-12-5-16(2)15-6/h5H,3-4H2,1-2H3,(H,10,14)(H,11,17).
What are the key properties of 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 267.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114126513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).