1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea

C7H12N4O2S — CID 94024683

IUPAC1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCOC[C@H](C)NC(=O)Nc1nncs1
InChIInChI=1S/C7H12N4O2S/c1-5(3-13-2)9-6(12)10-7-11-8-4-14-7/h4-5H,3H2,1-2H3,(H2,9,10,11,12)/t5-/m0/s1
InChIKeyZFPSNHYRJSSMNS-YFKPBYRVSA-N
MW216.27 g/mol
LogP0.69
Rot. Bonds4

About 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 94024683) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID94024683
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCOC[C@H](C)NC(=O)Nc1nncs1
InChIInChI=1S/C7H12N4O2S/c1-5(3-13-2)9-6(12)10-7-11-8-4-14-7/h4-5H,3H2,1-2H3,(H2,9,10,11,12)/t5-/m0/s1
InChIKeyZFPSNHYRJSSMNS-YFKPBYRVSA-N
XLogP0.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191680
methyl 4-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylate
CID 75398054
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
1-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94187798
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95977557
3-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]butanoic acid
CID 65217758
2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
CID 61193061
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9365269
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 94024683) is 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea is COC[C@H](C)NC(=O)Nc1nncs1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is ZFPSNHYRJSSMNS-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-5(3-13-2)9-6(12)10-7-11-8-4-14-7/h4-5H,3H2,1-2H3,(H2,9,10,11,12)/t5-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 216.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 94024683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).