N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C16H18N2S — CID 65404612

IUPACN-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCC2c1nc(CNC2CC2)cs1
InChIInChI=1S/C16H18N2S/c1-2-4-14-11(3-1)5-8-15(14)16-18-13(10-19-16)9-17-12-6-7-12/h1-4,10,12,15,17H,5-9H2
InChIKeyPKSNFQJXRHQNFL-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.47
Rot. Bonds4

About N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 65404612) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID65404612
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCC2c1nc(CNC2CC2)cs1
InChIInChI=1S/C16H18N2S/c1-2-4-14-11(3-1)5-8-15(14)16-18-13(10-19-16)9-17-12-6-7-12/h1-4,10,12,15,17H,5-9H2
InChIKeyPKSNFQJXRHQNFL-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79965491
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 78838868
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
N-[[2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65405236
N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82740689

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 65404612) is N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is c1ccc2c(c1)CCC2c1nc(CNC2CC2)cs1.
What is the InChIKey of N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is PKSNFQJXRHQNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-4-14-11(3-1)5-8-15(14)16-18-13(10-19-16)9-17-12-6-7-12/h1-4,10,12,15,17H,5-9H2.
What are the key properties of N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 270.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65404612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).