N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C13H22N4O2S — CID 80615228

IUPACN-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)CC2CCCCO2)s1
InChIInChI=1S/C13H22N4O2S/c1-3-7-14-13-16-15-11(20-13)12(18)17(2)9-10-6-4-5-8-19-10/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyMKWNGAWXERXHFH-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.00
Rot. Bonds6

About N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615228) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615228
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)CC2CCCCO2)s1
InChIInChI=1S/C13H22N4O2S/c1-3-7-14-13-16-15-11(20-13)12(18)17(2)9-10-6-4-5-8-19-10/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyMKWNGAWXERXHFH-UHFFFAOYSA-N
XLogP2.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615401
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 81074558
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61217701
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615665
N-methyl-5-(propylamino)-N-(pyridin-4-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614863
N-[(4-bromophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618727
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374782

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615228) is N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(C)CC2CCCCO2)s1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MKWNGAWXERXHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-7-14-13-16-15-11(20-13)12(18)17(2)9-10-6-4-5-8-19-10/h10H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).