N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide

C18H34N4OS — CID 85432458

IUPACN-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide
SMILESCCCC(NC(CC)CC)C(=O)Nc1nnc(C(C)(C)CCC)s1
InChIInChI=1S/C18H34N4OS/c1-7-11-14(19-13(9-3)10-4)15(23)20-17-22-21-16(24-17)18(5,6)12-8-2/h13-14,19H,7-12H2,1-6H3,(H,20,22,23)
InChIKeyYFNVXQUCMZZERO-UHFFFAOYSA-N
MW354.56 g/mol
LogP4.50
Rot. Bonds11

About N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide

N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide (PubChem CID 85432458) has the molecular formula C18H34N4OS and a molecular weight of 354.56 g/mol. Its IUPAC name is N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide.

Molecular Properties

Compound NameN-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide
PubChem CID85432458
Molecular FormulaC18H34N4OS
Molecular Weight354.56 g/mol
Exact Mass354.25
IUPAC NameN-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide
SMILESCCCC(NC(CC)CC)C(=O)Nc1nnc(C(C)(C)CCC)s1
InChIInChI=1S/C18H34N4OS/c1-7-11-14(19-13(9-3)10-4)15(23)20-17-22-21-16(24-17)18(5,6)12-8-2/h13-14,19H,7-12H2,1-6H3,(H,20,22,23)
InChIKeyYFNVXQUCMZZERO-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 11609812
2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 5099630
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[4-(2-hydroxyethylamino)-2-methylbutan-2-yl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 25010391
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453168
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705899
1-(1-hydroxypentan-3-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 111452884
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 2932790
2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
CID 91380505

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide?
The IUPAC name of N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide (CID 85432458) is N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide.
What is the SMILES notation for N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide?
The canonical SMILES for N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide is CCCC(NC(CC)CC)C(=O)Nc1nnc(C(C)(C)CCC)s1.
What is the InChIKey of N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide?
The InChIKey is YFNVXQUCMZZERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4OS/c1-7-11-14(19-13(9-3)10-4)15(23)20-17-22-21-16(24-17)18(5,6)12-8-2/h13-14,19H,7-12H2,1-6H3,(H,20,22,23).
What are the key properties of N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide?
N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide has a molecular weight of 354.56 g/mol, XLogP of 4.50, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide is sourced from PubChem (CID 85432458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).