(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide

C8H14N4OS — CID 131162038

IUPAC(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide
SMILESCc1nnc(N[C@@H](C)C(=O)N(C)C)s1
InChIInChI=1S/C8H14N4OS/c1-5(7(13)12(3)4)9-8-11-10-6(2)14-8/h5H,1-4H3,(H,9,11)/t5-/m0/s1
InChIKeyFGNOIJMNLSEHLP-YFKPBYRVSA-N
MW214.29 g/mol
LogP0.74
Rot. Bonds3

About (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide

(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide (PubChem CID 131162038) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide
PubChem CID131162038
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide
SMILESCc1nnc(N[C@@H](C)C(=O)N(C)C)s1
InChIInChI=1S/C8H14N4OS/c1-5(7(13)12(3)4)9-8-11-10-6(2)14-8/h5H,1-4H3,(H,9,11)/t5-/m0/s1
InChIKeyFGNOIJMNLSEHLP-YFKPBYRVSA-N
XLogP0.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide (CID 131162038) is (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide is Cc1nnc(N[C@@H](C)C(=O)N(C)C)s1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide?
The InChIKey is FGNOIJMNLSEHLP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(7(13)12(3)4)9-8-11-10-6(2)14-8/h5H,1-4H3,(H,9,11)/t5-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide?
(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide is sourced from PubChem (CID 131162038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).