2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide

C15H17N3O2S — CID 120630032

IUPAC2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2ccc3c(c2)CCCO3)cs1
InChIInChI=1S/C15H17N3O2S/c16-6-5-14-18-12(9-21-14)15(19)17-11-3-4-13-10(8-11)2-1-7-20-13/h3-4,8-9H,1-2,5-7,16H2,(H,17,19)
InChIKeyUBUAVBPOTNNWRQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.22
Rot. Bonds4

About 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 120630032) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID120630032
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2ccc3c(c2)CCCO3)cs1
InChIInChI=1S/C15H17N3O2S/c16-6-5-14-18-12(9-21-14)15(19)17-11-3-4-13-10(8-11)2-1-7-20-13/h3-4,8-9H,1-2,5-7,16H2,(H,17,19)
InChIKeyUBUAVBPOTNNWRQ-UHFFFAOYSA-N
XLogP2.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide (CID 120630032) is 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)Nc2ccc3c(c2)CCCO3)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is UBUAVBPOTNNWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-6-5-14-18-12(9-21-14)15(19)17-11-3-4-13-10(8-11)2-1-7-20-13/h3-4,8-9H,1-2,5-7,16H2,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120630032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).