1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea

C15H16N6O2S — CID 95950890

IUPAC1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
SMILESO=C(NCc1nc(-c2ccco2)n[nH]1)N[C@@H](c1nccs1)C1CC1
InChIInChI=1S/C15H16N6O2S/c22-15(19-12(9-3-4-9)14-16-5-7-24-14)17-8-11-18-13(21-20-11)10-2-1-6-23-10/h1-2,5-7,9,12H,3-4,8H2,(H2,17,19,22)(H,18,20,21)/t12-/m1/s1
InChIKeyUWEULMXLNNOKQX-GFCCVEGCSA-N
MW344.40 g/mol
LogP2.47
Rot. Bonds6

About 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea

1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea (PubChem CID 95950890) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
PubChem CID95950890
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
SMILESO=C(NCc1nc(-c2ccco2)n[nH]1)N[C@@H](c1nccs1)C1CC1
InChIInChI=1S/C15H16N6O2S/c22-15(19-12(9-3-4-9)14-16-5-7-24-14)17-8-11-18-13(21-20-11)10-2-1-6-23-10/h1-2,5-7,9,12H,3-4,8H2,(H2,17,19,22)(H,18,20,21)/t12-/m1/s1
InChIKeyUWEULMXLNNOKQX-GFCCVEGCSA-N
XLogP2.47
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide
CID 154862449
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97224561
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 97048766
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide
CID 154868547
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea
CID 96518480
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
(2S)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96562381
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea?
The IUPAC name of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea (CID 95950890) is 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea is O=C(NCc1nc(-c2ccco2)n[nH]1)N[C@@H](c1nccs1)C1CC1.
What is the InChIKey of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea?
The InChIKey is UWEULMXLNNOKQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N6O2S/c22-15(19-12(9-3-4-9)14-16-5-7-24-14)17-8-11-18-13(21-20-11)10-2-1-6-23-10/h1-2,5-7,9,12H,3-4,8H2,(H2,17,19,22)(H,18,20,21)/t12-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea?
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea has a molecular weight of 344.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea is sourced from PubChem (CID 95950890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).