N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide

C20H34N4O3S — CID 155425471

IUPACN-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nnc(C(C)(C)CC(=O)NCC2(O)CCCCC2)s1
InChIInChI=1S/C20H34N4O3S/c1-18(2,3)11-15(26)22-17-24-23-16(28-17)19(4,5)12-14(25)21-13-20(27)9-7-6-8-10-20/h27H,6-13H2,1-5H3,(H,21,25)(H,22,24,26)
InChIKeyIWAUIKPINKBGSP-UHFFFAOYSA-N
MW410.58 g/mol
LogP3.39
Rot. Bonds7

About N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide

N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 155425471) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
PubChem CID155425471
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC NameN-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nnc(C(C)(C)CC(=O)NCC2(O)CCCCC2)s1
InChIInChI=1S/C20H34N4O3S/c1-18(2,3)11-15(26)22-17-24-23-16(28-17)19(4,5)12-14(25)21-13-20(27)9-7-6-8-10-20/h27H,6-13H2,1-5H3,(H,21,25)(H,22,24,26)
InChIKeyIWAUIKPINKBGSP-UHFFFAOYSA-N
XLogP3.39
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 111437559
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
CID 114448526
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 130634547
2-[[5-(3,3-dimethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61285334
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111446010
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 111430455
4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 109379715
N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 18430303

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide (CID 155425471) is N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nnc(C(C)(C)CC(=O)NCC2(O)CCCCC2)s1.
What is the InChIKey of N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is IWAUIKPINKBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-18(2,3)11-15(26)22-17-24-23-16(28-17)19(4,5)12-14(25)21-13-20(27)9-7-6-8-10-20/h27H,6-13H2,1-5H3,(H,21,25)(H,22,24,26).
What are the key properties of N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide?
N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 410.58 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(1-hydroxycyclohexyl)methylamino]-2-methyl-4-oxobutan-2-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 155425471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).