N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide

C14H17N5OS — CID 91788939

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide
SMILESNc1nnc(CNC(=O)c2ccc(N3CCCC3)cc2)s1
InChIInChI=1S/C14H17N5OS/c15-14-18-17-12(21-14)9-16-13(20)10-3-5-11(6-4-10)19-7-1-2-8-19/h3-6H,1-2,7-9H2,(H2,15,18)(H,16,20)
InChIKeyCPEPAMCOIKWHST-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.65
Rot. Bonds4

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 91788939) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID91788939
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide
SMILESNc1nnc(CNC(=O)c2ccc(N3CCCC3)cc2)s1
InChIInChI=1S/C14H17N5OS/c15-14-18-17-12(21-14)9-16-13(20)10-3-5-11(6-4-10)19-7-1-2-8-19/h3-6H,1-2,7-9H2,(H2,15,18)(H,16,20)
InChIKeyCPEPAMCOIKWHST-UHFFFAOYSA-N
XLogP1.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 92659597
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide
CID 92659579
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72855136
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide
CID 122567369
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide (CID 91788939) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide is Nc1nnc(CNC(=O)c2ccc(N3CCCC3)cc2)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is CPEPAMCOIKWHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-14-18-17-12(21-14)9-16-13(20)10-3-5-11(6-4-10)19-7-1-2-8-19/h3-6H,1-2,7-9H2,(H2,15,18)(H,16,20).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 303.39 g/mol, XLogP of 1.65, 4 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)methyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 91788939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).