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

C10H13N5O2S — CID 114180965

IUPAC5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCc2ncc(C)o2)s1
InChIInChI=1S/C10H13N5O2S/c1-3-11-10-15-14-9(18-10)8(16)13-5-7-12-4-6(2)17-7/h4H,3,5H2,1-2H3,(H,11,15)(H,13,16)
InChIKeyMTZHXVZASJWYHI-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.20
Rot. Bonds5

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

5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114180965) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID114180965
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCc2ncc(C)o2)s1
InChIInChI=1S/C10H13N5O2S/c1-3-11-10-15-14-9(18-10)8(16)13-5-7-12-4-6(2)17-7/h4H,3,5H2,1-2H3,(H,11,15)(H,13,16)
InChIKeyMTZHXVZASJWYHI-UHFFFAOYSA-N
XLogP1.20
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]pyrazine-2-carboxamide
CID 106377240
5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107143525
5-(ethylamino)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114126513
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106377361
2-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106377114
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212
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

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 114180965) is 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCc2ncc(C)o2)s1.
What is the InChIKey of 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MTZHXVZASJWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-11-10-15-14-9(18-10)8(16)13-5-7-12-4-6(2)17-7/h4H,3,5H2,1-2H3,(H,11,15)(H,13,16).
What are the key properties of 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114180965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).