N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H25N5OS2 — CID 18202307

IUPACN-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)C2)s1
InChIInChI=1S/C18H25N5OS2/c1-13(2)19-17-21-22-18(26-17)25-12-16(24)20-15-8-9-23(11-15)10-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyZJIPUYUJNZJZIS-UHFFFAOYSA-N
MW391.57 g/mol
LogP2.84
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 18202307) has the molecular formula C18H25N5OS2 and a molecular weight of 391.57 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID18202307
Molecular FormulaC18H25N5OS2
Molecular Weight391.57 g/mol
Exact Mass391.15
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)C2)s1
InChIInChI=1S/C18H25N5OS2/c1-13(2)19-17-21-22-18(26-17)25-12-16(24)20-15-8-9-23(11-15)10-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyZJIPUYUJNZJZIS-UHFFFAOYSA-N
XLogP2.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.57
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
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N-(3-phenylpropyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501953
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8871168
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N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
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CID 66565242
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 125155135
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8917117
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 18202307) is N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)Nc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)C2)s1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ZJIPUYUJNZJZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS2/c1-13(2)19-17-21-22-18(26-17)25-12-16(24)20-15-8-9-23(11-15)10-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)(H,20,24).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 391.57 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 18202307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).