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

C11H18N4OS — CID 80615496

IUPACN-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1nnc(NC)s1
InChIInChI=1S/C11H18N4OS/c1-3-6-15(7-8-4-5-8)10(16)9-13-14-11(12-2)17-9/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyPXNLNPTWHGYESS-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.84
Rot. Bonds6

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

N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615496) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615496
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1nnc(NC)s1
InChIInChI=1S/C11H18N4OS/c1-3-6-15(7-8-4-5-8)10(16)9-13-14-11(12-2)17-9/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyPXNLNPTWHGYESS-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102870469
N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
N-(cyclopropylmethyl)-5-(methylamino)-N-propylpyrazine-2-carboxamide
CID 107374841
N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615120
4-amino-N-(cyclopropylmethyl)-2-(propan-2-ylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663404
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663408
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615747
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80616879

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide (CID 80615496) is N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide is CCCN(CC1CC1)C(=O)c1nnc(NC)s1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PXNLNPTWHGYESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-6-15(7-8-4-5-8)10(16)9-13-14-11(12-2)17-9/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide?
N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).