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

C11H17N5OS — CID 80615747

IUPACN-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCC#N)CC(C)C)s1
InChIInChI=1S/C11H17N5OS/c1-8(2)7-16(6-4-5-12)10(17)9-14-15-11(13-3)18-9/h8H,4,6-7H2,1-3H3,(H,13,15)
InChIKeyPOQIYJNVKZKIDE-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.59
Rot. Bonds6

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

N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615747) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615747
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC NameN-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCC#N)CC(C)C)s1
InChIInChI=1S/C11H17N5OS/c1-8(2)7-16(6-4-5-12)10(17)9-14-15-11(13-3)18-9/h8H,4,6-7H2,1-3H3,(H,13,15)
InChIKeyPOQIYJNVKZKIDE-UHFFFAOYSA-N
XLogP1.59
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62160013
N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80616879
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 82959675
N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60656645
3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 62734954
5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922574
N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 54940591
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80615496
ethyl 4-[2-cyanoethyl(2-methylpropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697911
3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
CID 80606201

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615747) is N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(CCC#N)CC(C)C)s1.
What is the InChIKey of N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is POQIYJNVKZKIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-8(2)7-16(6-4-5-12)10(17)9-14-15-11(13-3)18-9/h8H,4,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 267.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).