1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea

C10H10N4O2S — CID 167838856

IUPAC1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nncs1)N[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C10H10N4O2S/c15-9(13-10-14-11-5-17-10)12-7-4-6(7)8-2-1-3-16-8/h1-3,5-7H,4H2,(H2,12,13,14,15)/t6-,7-/m1/s1
InChIKeyMXMVNJJJGJZLQX-RNFRBKRXSA-N
MW250.28 g/mol
LogP1.81
Rot. Bonds3

About 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 167838856) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID167838856
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nncs1)N[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C10H10N4O2S/c15-9(13-10-14-11-5-17-10)12-7-4-6(7)8-2-1-3-16-8/h1-3,5-7H,4H2,(H2,12,13,14,15)/t6-,7-/m1/s1
InChIKeyMXMVNJJJGJZLQX-RNFRBKRXSA-N
XLogP1.81
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191642
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 100839972
4-(1,3,4-thiadiazol-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216812
N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 138017395
1-[(2R,6R)-2,6-dimethylcyclohexyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95772253
1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 138019543
N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47450059
(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid
CID 61193281
2-[ethyl(furan-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47284425
1-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 154846724
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452
(1R,2R,3S,4R)-3-(1,3,4-thiadiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99806235

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 167838856) is 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea is O=C(Nc1nncs1)N[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is MXMVNJJJGJZLQX-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-9(13-10-14-11-5-17-10)12-7-4-6(7)8-2-1-3-16-8/h1-3,5-7H,4H2,(H2,12,13,14,15)/t6-,7-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 250.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 167838856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).