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

C14H16N2OS — CID 62961004

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C14H16N2OS/c1-2-10-9-18-14(15-10)16-12-7-8-17-13-6-4-3-5-11(12)13/h3-6,9,12H,2,7-8H2,1H3,(H,15,16)
InChIKeyPZMBSMLCMPOSAE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.64
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine (PubChem CID 62961004) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
PubChem CID62961004
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C14H16N2OS/c1-2-10-9-18-14(15-10)16-12-7-8-17-13-6-4-3-5-11(12)13/h3-6,9,12H,2,7-8H2,1H3,(H,15,16)
InChIKeyPZMBSMLCMPOSAE-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18193148
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708496
4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39966405
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18115290
N-(3,4-dihydro-2H-chromen-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 62366966
N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326094
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015832
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine (CID 62961004) is N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC2CCOc3ccccc32)n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is PZMBSMLCMPOSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-10-9-18-14(15-10)16-12-7-8-17-13-6-4-3-5-11(12)13/h3-6,9,12H,2,7-8H2,1H3,(H,15,16).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62961004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).