(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide

C16H18N2O2S — CID 99960771

IUPAC(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ncsc1CCNC(=O)[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C16H18N2O2S/c1-11-15(21-10-18-11)8-9-17-16(19)14-7-6-12-4-2-3-5-13(12)20-14/h2-5,10,14H,6-9H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyBELVDZMITWEBIJ-AWEZNQCLSA-N
MW302.40 g/mol
LogP2.50
Rot. Bonds4

About (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 99960771) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID99960771
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ncsc1CCNC(=O)[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C16H18N2O2S/c1-11-15(21-10-18-11)8-9-17-16(19)14-7-6-12-4-2-3-5-13(12)20-14/h2-5,10,14H,6-9H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyBELVDZMITWEBIJ-AWEZNQCLSA-N
XLogP2.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136567978
N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 90649003
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 91796163
(2S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136756310
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 97114800
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56910837
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743024
(3R)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29256977
2-(2-methylphenoxy)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718457
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 121196035

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 99960771) is (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ncsc1CCNC(=O)[C@@H]1CCc2ccccc2O1.
What is the InChIKey of (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is BELVDZMITWEBIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-15(21-10-18-11)8-9-17-16(19)14-7-6-12-4-2-3-5-13(12)20-14/h2-5,10,14H,6-9H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 99960771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).