N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine

C17H20N2OS — CID 79371774

IUPACN-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(NC1CC1)(c1nc(C)cs1)CC2
InChIInChI=1S/C17H20N2OS/c1-11-10-21-16(18-11)17(19-13-4-5-13)8-7-12-3-6-14(20-2)9-15(12)17/h3,6,9-10,13,19H,4-5,7-8H2,1-2H3
InChIKeyHVGTWAVXAVGGFC-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.40
Rot. Bonds4

About N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine

N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine (PubChem CID 79371774) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
PubChem CID79371774
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(NC1CC1)(c1nc(C)cs1)CC2
InChIInChI=1S/C17H20N2OS/c1-11-10-21-16(18-11)17(19-13-4-5-13)8-7-12-3-6-14(20-2)9-15(12)17/h3,6,9-10,13,19H,4-5,7-8H2,1-2H3
InChIKeyHVGTWAVXAVGGFC-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine (CID 79371774) is N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(NC1CC1)(c1nc(C)cs1)CC2.
What is the InChIKey of N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The InChIKey is HVGTWAVXAVGGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-10-21-16(18-11)17(19-13-4-5-13)8-7-12-3-6-14(20-2)9-15(12)17/h3,6,9-10,13,19H,4-5,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine has a molecular weight of 300.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79371774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).