N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C13H23N5OS — CID 80616088

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCC2CCN(CC)C2)s1
InChIInChI=1S/C13H23N5OS/c1-3-6-14-13-17-16-12(20-13)11(19)15-8-10-5-7-18(4-2)9-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyVBBQNXKZHKAIAZ-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.43
Rot. Bonds7

About N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616088) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616088
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCC2CCN(CC)C2)s1
InChIInChI=1S/C13H23N5OS/c1-3-6-14-13-17-16-12(20-13)11(19)15-8-10-5-7-18(4-2)9-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyVBBQNXKZHKAIAZ-UHFFFAOYSA-N
XLogP1.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(propylamino)-N-(thiolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624337
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114799849
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616011
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 115561682
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 107298229
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114681692
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 102964764
[5-(propylamino)-1,3,4-thiadiazol-2-yl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 80619244

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616088) is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)NCC2CCN(CC)C2)s1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VBBQNXKZHKAIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-3-6-14-13-17-16-12(20-13)11(19)15-8-10-5-7-18(4-2)9-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).