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

C16H19N3O2S — CID 51092798

IUPAC1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cs1
InChIInChI=1S/C16H19N3O2S/c1-10-18-12(9-22-10)6-7-17-16(21)19-15-13-5-3-2-4-11(13)8-14(15)20/h2-5,9,14-15,20H,6-8H2,1H3,(H2,17,19,21)/t14-,15+/m0/s1
InChIKeyODNFQJIPTAMRBN-LSDHHAIUSA-N
MW317.41 g/mol
LogP1.95
Rot. Bonds4

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

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 51092798) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID51092798
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cs1
InChIInChI=1S/C16H19N3O2S/c1-10-18-12(9-22-10)6-7-17-16(21)19-15-13-5-3-2-4-11(13)8-14(15)20/h2-5,9,14-15,20H,6-8H2,1H3,(H2,17,19,21)/t14-,15+/m0/s1
InChIKeyODNFQJIPTAMRBN-LSDHHAIUSA-N
XLogP1.95
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111108844
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507774
1-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95277862
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95277861
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
CID 110895671
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103629909
N-[2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]ethyl]-4-methylbenzamide
CID 136525095
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111509352
(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 36821432
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111508356
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 51092798) is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cs1.
What is the InChIKey of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is ODNFQJIPTAMRBN-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-18-12(9-22-10)6-7-17-16(21)19-15-13-5-3-2-4-11(13)8-14(15)20/h2-5,9,14-15,20H,6-8H2,1H3,(H2,17,19,21)/t14-,15+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 317.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 51092798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).