N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C19H25N5OS — CID 91778355

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESNc1nnc(C(NC(=O)C2(N3CCCC3)CCCC2)c2ccccc2)s1
InChIInChI=1S/C19H25N5OS/c20-18-23-22-16(26-18)15(14-8-2-1-3-9-14)21-17(25)19(10-4-5-11-19)24-12-6-7-13-24/h1-3,8-9,15H,4-7,10-13H2,(H2,20,23)(H,21,25)
InChIKeyLACFBSCTTFBTKN-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.73
Rot. Bonds5

About N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 91778355) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID91778355
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESNc1nnc(C(NC(=O)C2(N3CCCC3)CCCC2)c2ccccc2)s1
InChIInChI=1S/C19H25N5OS/c20-18-23-22-16(26-18)15(14-8-2-1-3-9-14)21-17(25)19(10-4-5-11-19)24-12-6-7-13-24/h1-3,8-9,15H,4-7,10-13H2,(H2,20,23)(H,21,25)
InChIKeyLACFBSCTTFBTKN-UHFFFAOYSA-N
XLogP2.73
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 91791956
N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 131921884
N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 131924641
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
CID 91776924
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 99940755
N-[(1R)-2-hydroxy-1-phenylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50984628
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70753415
N-[furan-2-yl(phenyl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 131894982
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 126428451
1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
CID 91787819
1-amino-N-benzhydrylcyclopentane-1-carboxamide
CID 97030389
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide
CID 95140346

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 91778355) is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is Nc1nnc(C(NC(=O)C2(N3CCCC3)CCCC2)c2ccccc2)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is LACFBSCTTFBTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c20-18-23-22-16(26-18)15(14-8-2-1-3-9-14)21-17(25)19(10-4-5-11-19)24-12-6-7-13-24/h1-3,8-9,15H,4-7,10-13H2,(H2,20,23)(H,21,25).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 91778355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).