1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C16H17N3O2S — CID 48806978

IUPAC1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1nc(C2CC2)cs1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H17N3O2S/c20-13-7-10-3-1-2-4-11(10)14(13)18-15(21)19-16-17-12(8-22-16)9-5-6-9/h1-4,8-9,13-14,20H,5-7H2,(H2,17,18,19,21)/t13-,14+/m0/s1
InChIKeyJJLRRYALYIERFI-UONOGXRCSA-N
MW315.40 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 48806978) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID48806978
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1nc(C2CC2)cs1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H17N3O2S/c20-13-7-10-3-1-2-4-11(10)14(13)18-15(21)19-16-17-12(8-22-16)9-5-6-9/h1-4,8-9,13-14,20H,5-7H2,(H2,17,18,19,21)/t13-,14+/m0/s1
InChIKeyJJLRRYALYIERFI-UONOGXRCSA-N
XLogP2.80
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 48806978) is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is O=C(Nc1nc(C2CC2)cs1)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is JJLRRYALYIERFI-UONOGXRCSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-13-7-10-3-1-2-4-11(10)14(13)18-15(21)19-16-17-12(8-22-16)9-5-6-9/h1-4,8-9,13-14,20H,5-7H2,(H2,17,18,19,21)/t13-,14+/m0/s1.
What are the key properties of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 315.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 48806978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).