3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea

C19H23N3OS — CID 99854195

IUPAC3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
SMILESC[C@H](CN(C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1nccs1
InChIInChI=1S/C19H23N3OS/c1-12(18-20-9-10-24-18)11-22(2)19(23)21-17-15-8-7-13-5-3-4-6-14(13)16(15)17/h3-6,9-10,12,15-17H,7-8,11H2,1-2H3,(H,21,23)/t12-,15-,16+,17-/m1/s1
InChIKeyPYCXZYJKWZLCOV-VDNDLQMASA-N
MW341.48 g/mol
LogP3.62
Rot. Bonds4

About 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea

3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 99854195) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID99854195
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
SMILESC[C@H](CN(C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1nccs1
InChIInChI=1S/C19H23N3OS/c1-12(18-20-9-10-24-18)11-22(2)19(23)21-17-15-8-7-13-5-3-4-6-14(13)16(15)17/h3-6,9-10,12,15-17H,7-8,11H2,1-2H3,(H,21,23)/t12-,15-,16+,17-/m1/s1
InChIKeyPYCXZYJKWZLCOV-VDNDLQMASA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea with MolForge

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600832
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012775
N-[2-[[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 97237562
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600514
3-[(2R)-but-3-en-2-yl]-1-methyl-1-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97351061
3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75503919
1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 102562764
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide
CID 75386042
N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide
CID 97237561
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014958
3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75477201
3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
CID 154840149

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea (CID 99854195) is 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea is C[C@H](CN(C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1nccs1.
What is the InChIKey of 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is PYCXZYJKWZLCOV-VDNDLQMASA-N. The full InChI is InChI=1S/C19H23N3OS/c1-12(18-20-9-10-24-18)11-22(2)19(23)21-17-15-8-7-13-5-3-4-6-14(13)16(15)17/h3-6,9-10,12,15-17H,7-8,11H2,1-2H3,(H,21,23)/t12-,15-,16+,17-/m1/s1.
What are the key properties of 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea?
3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 341.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 99854195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).