N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C17H22N2OS — CID 65404419

IUPACN-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C2CCOc3ccccc32)n1
InChIInChI=1S/C17H22N2OS/c1-3-9-18-12(2)15-11-21-17(19-15)14-8-10-20-16-7-5-4-6-13(14)16/h4-7,11-12,14,18H,3,8-10H2,1-2H3
InChIKeyAPQXBEVMPFLBFC-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.12
Rot. Bonds5

About N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 65404419) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID65404419
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C2CCOc3ccccc32)n1
InChIInChI=1S/C17H22N2OS/c1-3-9-18-12(2)15-11-21-17(19-15)14-8-10-20-16-7-5-4-6-13(14)16/h4-7,11-12,14,18H,3,8-10H2,1-2H3
InChIKeyAPQXBEVMPFLBFC-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536
3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65405691
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826943
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769
N-[[2-(3,4-dihydro-2H-chromen-4-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 65404275
5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 104771905
[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361553
N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 104770542
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841063
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 65404419) is N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(C2CCOc3ccccc32)n1.
What is the InChIKey of N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is APQXBEVMPFLBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-9-18-12(2)15-11-21-17(19-15)14-8-10-20-16-7-5-4-6-13(14)16/h4-7,11-12,14,18H,3,8-10H2,1-2H3.
What are the key properties of N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65404419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).