N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C11H18N4OS — CID 110461380

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CCCN2)s1
InChIInChI=1S/C11H18N4OS/c1-7(2)6-9-14-15-11(17-9)13-10(16)8-4-3-5-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyPOXHGVJTXCZZDI-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.43
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 110461380) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID110461380
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CCCN2)s1
InChIInChI=1S/C11H18N4OS/c1-7(2)6-9-14-15-11(17-9)13-10(16)8-4-3-5-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyPOXHGVJTXCZZDI-UHFFFAOYSA-N
XLogP1.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 119265861
(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 7318372
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
(2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
CID 120917902
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
2-(azetidin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 114165511
N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119325701
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119677065
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide
CID 106261891
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 51514563

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 110461380) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is CC(C)Cc1nnc(NC(=O)C2CCCN2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is POXHGVJTXCZZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(2)6-9-14-15-11(17-9)13-10(16)8-4-3-5-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,15,16).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110461380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).