N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C10H18N4OS2 — CID 27987886

IUPACN-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCNC(=O)CSc1nnc(NCC(C)C)s1
InChIInChI=1S/C10H18N4OS2/c1-4-11-8(15)6-16-10-14-13-9(17-10)12-5-7(2)3/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyBBGIQLKXPXSIDW-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.83
Rot. Bonds7

About N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 27987886) has the molecular formula C10H18N4OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID27987886
Molecular FormulaC10H18N4OS2
Molecular Weight274.41 g/mol
Exact Mass274.09
IUPAC NameN-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCNC(=O)CSc1nnc(NCC(C)C)s1
InChIInChI=1S/C10H18N4OS2/c1-4-11-8(15)6-16-10-14-13-9(17-10)12-5-7(2)3/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyBBGIQLKXPXSIDW-UHFFFAOYSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 9379650
N-acetyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379661
N-(cyclopropylmethyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 35164965
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18101267
N-ethyl-2-[[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 17392032
N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30932888
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 16500089
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531
N-(cyclopentylcarbamoyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 40682756
N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 85477418
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 8674152

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 27987886) is N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCNC(=O)CSc1nnc(NCC(C)C)s1.
What is the InChIKey of N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BBGIQLKXPXSIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-4-11-8(15)6-16-10-14-13-9(17-10)12-5-7(2)3/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13).
What are the key properties of N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27987886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).