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

C17H32N4OS — CID 11609812

IUPAC(2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCC[C@H](NC(C)CC)C(=O)Nc1nnc(C(C)(C)CCC)s1
InChIInChI=1S/C17H32N4OS/c1-7-10-13(18-12(4)9-3)14(22)19-16-21-20-15(23-16)17(5,6)11-8-2/h12-13,18H,7-11H2,1-6H3,(H,19,21,22)/t12?,13-/m0/s1
InChIKeyKYYUVLGGSAPWSU-ABLWVSNPSA-N
MW340.54 g/mol
LogP4.11
Rot. Bonds10

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

(2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 11609812) has the molecular formula C17H32N4OS and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID11609812
Molecular FormulaC17H32N4OS
Molecular Weight340.54 g/mol
Exact Mass340.23
IUPAC Name(2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCC[C@H](NC(C)CC)C(=O)Nc1nnc(C(C)(C)CCC)s1
InChIInChI=1S/C17H32N4OS/c1-7-10-13(18-12(4)9-3)14(22)19-16-21-20-15(23-16)17(5,6)11-8-2/h12-13,18H,7-11H2,1-6H3,(H,19,21,22)/t12?,13-/m0/s1
InChIKeyKYYUVLGGSAPWSU-ABLWVSNPSA-N
XLogP4.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide with MolForge

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Related Compounds

N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide
CID 85432458
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
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 2932790
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3220441
2-methyl-3-(methylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119705214
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 79515533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 11609812) is (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide is CCC[C@H](NC(C)CC)C(=O)Nc1nnc(C(C)(C)CCC)s1.
What is the InChIKey of (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is KYYUVLGGSAPWSU-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H32N4OS/c1-7-10-13(18-12(4)9-3)14(22)19-16-21-20-15(23-16)17(5,6)11-8-2/h12-13,18H,7-11H2,1-6H3,(H,19,21,22)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide?
(2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 340.54 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 11609812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).