4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine

C13H14N2S — CID 8878238

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C13H14N2S/c1-8-12(15-13(14)16-8)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKeyPIHSKMPOPWHJCA-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.19
Rot. Bonds1

About 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine

4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 8878238) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID8878238
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C13H14N2S/c1-8-12(15-13(14)16-8)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKeyPIHSKMPOPWHJCA-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_B(3)', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39390793
4-(2,3-dihydro-1H-inden-5-yl)-2,6-dimethylpyrimidin-5-amine
CID 82388247
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 62326333
2,3-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068493
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 8878555
1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 167995697
5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole
CID 93189973
7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20983675
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine (CID 8878238) is 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is PIHSKMPOPWHJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-8-12(15-13(14)16-8)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H2,14,15).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine?
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8878238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).