5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide

C11H18N4OS — CID 114114579

IUPAC5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCC2(C(C)C)CC2)s1
InChIInChI=1S/C11H18N4OS/c1-7(2)11(4-5-11)6-13-8(16)9-14-15-10(12-3)17-9/h7H,4-6H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyRMVBAFUGKDENOF-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.75
Rot. Bonds5

About 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114114579) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID114114579
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCC2(C(C)C)CC2)s1
InChIInChI=1S/C11H18N4OS/c1-7(2)11(4-5-11)6-13-8(16)9-14-15-10(12-3)17-9/h7H,4-6H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyRMVBAFUGKDENOF-UHFFFAOYSA-N
XLogP1.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114114472
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80616879
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114004403
5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617192

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 114114579) is 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCC2(C(C)C)CC2)s1.
What is the InChIKey of 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RMVBAFUGKDENOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(2)11(4-5-11)6-13-8(16)9-14-15-10(12-3)17-9/h7H,4-6H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114114579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).