(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C15H15N3O3S — CID 51981747

IUPAC(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)[C@@H]2COc3ccccc3C2)n1
InChIInChI=1S/C15H15N3O3S/c16-13(19)6-11-8-22-15(17-11)18-14(20)10-5-9-3-1-2-4-12(9)21-7-10/h1-4,8,10H,5-7H2,(H2,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyWXZOYSGHMAROHI-JTQLQIEISA-N
MW317.37 g/mol
LogP1.36
Rot. Bonds4

About (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 51981747) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID51981747
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)[C@@H]2COc3ccccc3C2)n1
InChIInChI=1S/C15H15N3O3S/c16-13(19)6-11-8-22-15(17-11)18-14(20)10-5-9-3-1-2-4-12(9)21-7-10/h1-4,8,10H,5-7H2,(H2,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyWXZOYSGHMAROHI-JTQLQIEISA-N
XLogP1.36
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 51981747) is (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is NC(=O)Cc1csc(NC(=O)[C@@H]2COc3ccccc3C2)n1.
What is the InChIKey of (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is WXZOYSGHMAROHI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N3O3S/c16-13(19)6-11-8-22-15(17-11)18-14(20)10-5-9-3-1-2-4-12(9)21-7-10/h1-4,8,10H,5-7H2,(H2,16,19)(H,17,18,20)/t10-/m0/s1.
What are the key properties of (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 51981747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).