5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide

C13H17N5OS — CID 80615811

IUPAC5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NC(C)c2ccncc2)s1
InChIInChI=1S/C13H17N5OS/c1-3-6-15-13-18-17-12(20-13)11(19)16-9(2)10-4-7-14-8-5-10/h4-5,7-9H,3,6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyHYHKTKOQIWZMFD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.25
Rot. Bonds6

About 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide

5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615811) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615811
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NC(C)c2ccncc2)s1
InChIInChI=1S/C13H17N5OS/c1-3-6-15-13-18-17-12(20-13)11(19)16-9(2)10-4-7-14-8-5-10/h4-5,7-9H,3,6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyHYHKTKOQIWZMFD-UHFFFAOYSA-N
XLogP2.25
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618061
5-(ethylamino)-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617577
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618974
N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 106937223
N-methyl-5-(propylamino)-N-(pyridin-4-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614863
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616815
N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615832
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-[1-(4-chlorophenyl)ethyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 78811979
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615811) is 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)NC(C)c2ccncc2)s1.
What is the InChIKey of 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HYHKTKOQIWZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-6-15-13-18-17-12(20-13)11(19)16-9(2)10-4-7-14-8-5-10/h4-5,7-9H,3,6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).