N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C16H17N3OS — CID 43786812

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nc2sccn2c1CNC1CCOc2ccccc21
InChIInChI=1S/C16H17N3OS/c1-11-14(19-7-9-21-16(19)18-11)10-17-13-6-8-20-15-5-3-2-4-12(13)15/h2-5,7,9,13,17H,6,8,10H2,1H3
InChIKeyREIFHKQZOLQRJV-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.32
Rot. Bonds3

About N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43786812) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43786812
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nc2sccn2c1CNC1CCOc2ccccc21
InChIInChI=1S/C16H17N3OS/c1-11-14(19-7-9-21-16(19)18-11)10-17-13-6-8-20-15-5-3-2-4-12(13)15/h2-5,7,9,13,17H,6,8,10H2,1H3
InChIKeyREIFHKQZOLQRJV-UHFFFAOYSA-N
XLogP3.32
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-(3,4-dihydro-2H-chromen-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095496
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63221874
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60913625
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-propylcyclopropan-1-amine
CID 103711675
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43763585
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
pyrrolidin-1-yl-[5-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31054593

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 43786812) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1nc2sccn2c1CNC1CCOc2ccccc21.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is REIFHKQZOLQRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-14(19-7-9-21-16(19)18-11)10-17-13-6-8-20-15-5-3-2-4-12(13)15/h2-5,7,9,13,17H,6,8,10H2,1H3.
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43786812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).