N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C17H26N4OS3 — CID 18125716

IUPACN,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nnc(NCCc2cccs2)s1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H26N4OS3/c1-11(2)21(12(3)4)15(22)13(5)24-17-20-19-16(25-17)18-9-8-14-7-6-10-23-14/h6-7,10-13H,8-9H2,1-5H3,(H,18,19)
InChIKeyBGKBCWCWNNYNIX-UHFFFAOYSA-N
MW398.62 g/mol
LogP4.38
Rot. Bonds9

About N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 18125716) has the molecular formula C17H26N4OS3 and a molecular weight of 398.62 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID18125716
Molecular FormulaC17H26N4OS3
Molecular Weight398.62 g/mol
Exact Mass398.13
IUPAC NameN,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nnc(NCCc2cccs2)s1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H26N4OS3/c1-11(2)21(12(3)4)15(22)13(5)24-17-20-19-16(25-17)18-9-8-14-7-6-10-23-14/h6-7,10-13H,8-9H2,1-5H3,(H,18,19)
InChIKeyBGKBCWCWNNYNIX-UHFFFAOYSA-N
XLogP4.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 17417591
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562953
N-(cyclopropylcarbamoyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46664671
(2S)-1-(3,4-difluorophenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 26207377
N-[(4-chlorophenyl)methyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562919
N-(2,5-difluorophenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562933
N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 16576932
N-(oxolan-2-ylmethyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 18125705
(2R)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 9310432
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562930
5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 47130653
5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 134052428

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 18125716) is N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CC(Sc1nnc(NCCc2cccs2)s1)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is BGKBCWCWNNYNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS3/c1-11(2)21(12(3)4)15(22)13(5)24-17-20-19-16(25-17)18-9-8-14-7-6-10-23-14/h6-7,10-13H,8-9H2,1-5H3,(H,18,19).
What are the key properties of N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 398.62 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 18125716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).