4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine

C17H22N2OS — CID 8878555

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOC[C@H](C)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1
InChIInChI=1S/C17H22N2OS/c1-11(10-20-3)18-17-19-16(12(2)21-17)15-8-7-13-5-4-6-14(13)9-15/h7-9,11H,4-6,10H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeySDCCUGBZFPNJOC-NSHDSACASA-N
MW302.44 g/mol
LogP4.05
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine

4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 8878555) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID8878555
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOC[C@H](C)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1
InChIInChI=1S/C17H22N2OS/c1-11(10-20-3)18-17-19-16(12(2)21-17)15-8-7-13-5-4-6-14(13)9-15/h7-9,11H,4-6,10H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeySDCCUGBZFPNJOC-NSHDSACASA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878542
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774673
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 8878632
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630964
O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39390793
(2S,5R)-5-(aminomethyl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792190
5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 39373637
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide
CID 167913926
4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 2511053

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine (CID 8878555) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine is COC[C@H](C)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is SDCCUGBZFPNJOC-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11(10-20-3)18-17-19-16(12(2)21-17)15-8-7-13-5-4-6-14(13)9-15/h7-9,11H,4-6,10H2,1-3H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine?
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 302.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8878555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).