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

C10H18N4O2S — CID 80616601

IUPAC5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC(CC)COC)s1
InChIInChI=1S/C10H18N4O2S/c1-4-7(6-16-3)12-8(15)9-13-14-10(17-9)11-5-2/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyRNHQCQACEZPEAJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.12
Rot. Bonds7

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

5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616601) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616601
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC(CC)COC)s1
InChIInChI=1S/C10H18N4O2S/c1-4-7(6-16-3)12-8(15)9-13-14-10(17-9)11-5-2/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyRNHQCQACEZPEAJ-UHFFFAOYSA-N
XLogP1.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-(1-methoxypentan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80616764
5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80617445
5-(ethylamino)-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617577
N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617545
2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697189
5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616520
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724
5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80625648
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80616601) is 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NC(CC)COC)s1.
What is the InChIKey of 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RNHQCQACEZPEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-7(6-16-3)12-8(15)9-13-14-10(17-9)11-5-2/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).