N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C8H14N4O2S — CID 102700572

IUPACN-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCC(C)OC)s1
InChIInChI=1S/C8H14N4O2S/c1-5(14-3)4-10-6(13)7-11-12-8(9-2)15-7/h5H,4H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyZJTVUCBVEABUNL-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.34
Rot. Bonds5

About N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 102700572) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID102700572
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCC(C)OC)s1
InChIInChI=1S/C8H14N4O2S/c1-5(14-3)4-10-6(13)7-11-12-8(9-2)15-7/h5H,4H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyZJTVUCBVEABUNL-UHFFFAOYSA-N
XLogP0.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114004403
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114114579
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616864
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617192
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
N-tert-butyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615607

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 102700572) is N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCC(C)OC)s1.
What is the InChIKey of N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZJTVUCBVEABUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-5(14-3)4-10-6(13)7-11-12-8(9-2)15-7/h5H,4H2,1-3H3,(H,9,12)(H,10,13).
What are the key properties of N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 230.29 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 102700572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).