N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide

C8H14N4OS — CID 103865974

IUPACN,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNc1ncns1
InChIInChI=1S/C8H14N4OS/c1-8(2,6(13)9-3)4-10-7-11-5-12-14-7/h5H,4H2,1-3H3,(H,9,13)(H,10,11,12)
InChIKeyLBKHBASQHCPSON-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.72
Rot. Bonds4

About N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide

N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide (PubChem CID 103865974) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide
PubChem CID103865974
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNc1ncns1
InChIInChI=1S/C8H14N4OS/c1-8(2,6(13)9-3)4-10-7-11-5-12-14-7/h5H,4H2,1-3H3,(H,9,13)(H,10,11,12)
InChIKeyLBKHBASQHCPSON-UHFFFAOYSA-N
XLogP0.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide (CID 103865974) is N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide is CNC(=O)C(C)(C)CNc1ncns1.
What is the InChIKey of N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide?
The InChIKey is LBKHBASQHCPSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-8(2,6(13)9-3)4-10-7-11-5-12-14-7/h5H,4H2,1-3H3,(H,9,13)(H,10,11,12).
What are the key properties of N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide?
N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide is sourced from PubChem (CID 103865974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).