3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide

C24H39N5OS — CID 4619120

IUPAC3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCN(c1nc(Cc2ccccc2)ns1)C(C)C
InChIInChI=1S/C24H39N5OS/c1-6-28(7-2)16-11-12-20(5)25-23(30)15-17-29(19(3)4)24-26-22(27-31-24)18-21-13-9-8-10-14-21/h8-10,13-14,19-20H,6-7,11-12,15-18H2,1-5H3,(H,25,30)
InChIKeyDJMFATNGZOWRTN-UHFFFAOYSA-N
MW445.68 g/mol
LogP4.36
Rot. Bonds14

About 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide

3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide (PubChem CID 4619120) has the molecular formula C24H39N5OS and a molecular weight of 445.68 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide.

Molecular Properties

Compound Name3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide
PubChem CID4619120
Molecular FormulaC24H39N5OS
Molecular Weight445.68 g/mol
Exact Mass445.29
IUPAC Name3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCN(c1nc(Cc2ccccc2)ns1)C(C)C
InChIInChI=1S/C24H39N5OS/c1-6-28(7-2)16-11-12-20(5)25-23(30)15-17-29(19(3)4)24-26-22(27-31-24)18-21-13-9-8-10-14-21/h8-10,13-14,19-20H,6-7,11-12,15-18H2,1-5H3,(H,25,30)
InChIKeyDJMFATNGZOWRTN-UHFFFAOYSA-N
XLogP4.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.68
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(3,3-diphenylpropyl)propanamide
CID 5240943
N-(3,3-diphenylpropyl)-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide
CID 3993422
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-pentylpropanamide
CID 3406712
3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-pentylpropanamide
CID 3910416
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 3276873
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-propan-2-ylpropanamide
CID 3447254
3-[butan-2-yl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-butylpropanamide
CID 3639636
3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methylpropyl)amino]-N-(1-phenylethyl)propanamide
CID 42778334
N-(4-fluorophenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide
CID 3523698
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(4-methylphenyl)propanamide
CID 5034554
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(furan-2-ylmethyl)amino]-N-propan-2-ylpropanamide
CID 3956050
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(1,2-diphenylethyl)propanamide
CID 4985492

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The IUPAC name of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide (CID 4619120) is 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide.
What is the SMILES notation for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The canonical SMILES for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide is CCN(CC)CCCC(C)NC(=O)CCN(c1nc(Cc2ccccc2)ns1)C(C)C.
What is the InChIKey of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The InChIKey is DJMFATNGZOWRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5OS/c1-6-28(7-2)16-11-12-20(5)25-23(30)15-17-29(19(3)4)24-26-22(27-31-24)18-21-13-9-8-10-14-21/h8-10,13-14,19-20H,6-7,11-12,15-18H2,1-5H3,(H,25,30).
What are the key properties of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide has a molecular weight of 445.68 g/mol, XLogP of 4.36, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide is sourced from PubChem (CID 4619120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).