(3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C16H19N3O3S — CID 95212949

IUPAC(3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@H](C(=O)N(C)Cc1snnc1C)C2
InChIInChI=1S/C16H19N3O3S/c1-10-14(23-18-17-10)8-19(2)16(20)12-7-11-5-4-6-13(21-3)15(11)22-9-12/h4-6,12H,7-9H2,1-3H3/t12-/m1/s1
InChIKeyJCQMDGLIMODVNN-GFCCVEGCSA-N
MW333.41 g/mol
LogP2.06
Rot. Bonds4

About (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95212949) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95212949
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@H](C(=O)N(C)Cc1snnc1C)C2
InChIInChI=1S/C16H19N3O3S/c1-10-14(23-18-17-10)8-19(2)16(20)12-7-11-5-4-6-13(21-3)15(11)22-9-12/h4-6,12H,7-9H2,1-3H3/t12-/m1/s1
InChIKeyJCQMDGLIMODVNN-GFCCVEGCSA-N
XLogP2.06
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-8-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97152035
(3R)-8-methoxy-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97203250
(3R)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123510
(3S)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123511
(3S)-8-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97192313
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 50955315
(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97144519
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97139845
(3S)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 98303481
(3S)-8-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97190367
N-[2-(1,3-benzothiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 50964204

Frequently Asked Questions

What is the IUPAC name of (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 95212949) is (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OC[C@H](C(=O)N(C)Cc1snnc1C)C2.
What is the InChIKey of (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JCQMDGLIMODVNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-14(23-18-17-10)8-19(2)16(20)12-7-11-5-4-6-13(21-3)15(11)22-9-12/h4-6,12H,7-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methoxy-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95212949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).