3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide

C16H19N3O2S — CID 74247344

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide
SMILESNc1nc(CCC(=O)NCC2COc3ccccc3C2)cs1
InChIInChI=1S/C16H19N3O2S/c17-16-19-13(10-22-16)5-6-15(20)18-8-11-7-12-3-1-2-4-14(12)21-9-11/h1-4,10-11H,5-9H2,(H2,17,19)(H,18,20)
InChIKeyVDZYGTMRHMUYQO-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.03
Rot. Bonds5

About 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide (PubChem CID 74247344) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide
PubChem CID74247344
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide
SMILESNc1nc(CCC(=O)NCC2COc3ccccc3C2)cs1
InChIInChI=1S/C16H19N3O2S/c17-16-19-13(10-22-16)5-6-15(20)18-8-11-7-12-3-1-2-4-14(12)21-9-11/h1-4,10-11H,5-9H2,(H2,17,19)(H,18,20)
InChIKeyVDZYGTMRHMUYQO-UHFFFAOYSA-N
XLogP2.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 97114800
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CID 97154007
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55394953
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 51212011
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 96529378
N-[4-(3,4-dihydro-2H-chromen-3-ylmethylamino)-4-oxobutyl]thiophene-3-carboxamide
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CID 51212134
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 72875290
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 97146068
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide (CID 74247344) is 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide is Nc1nc(CCC(=O)NCC2COc3ccccc3C2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide?
The InChIKey is VDZYGTMRHMUYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-16-19-13(10-22-16)5-6-15(20)18-8-11-7-12-3-1-2-4-14(12)21-9-11/h1-4,10-11H,5-9H2,(H2,17,19)(H,18,20).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)propanamide is sourced from PubChem (CID 74247344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).