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

C14H13ClN2O2S — CID 63708496

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1nc(CCl)cs1)C1CCOc2ccccc21
InChIInChI=1S/C14H13ClN2O2S/c15-7-9-8-20-14(16-9)17-13(18)11-5-6-19-12-4-2-1-3-10(11)12/h1-4,8,11H,5-7H2,(H,16,17,18)
InChIKeyBXKNJNFXGACMOU-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.39
Rot. Bonds3

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63708496) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63708496
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1nc(CCl)cs1)C1CCOc2ccccc21
InChIInChI=1S/C14H13ClN2O2S/c15-7-9-8-20-14(16-9)17-13(18)11-5-6-19-12-4-2-1-3-10(11)12/h1-4,8,11H,5-7H2,(H,16,17,18)
InChIKeyBXKNJNFXGACMOU-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-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

Related Compounds

4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536
(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 124527741
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79041186
N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
CID 155944873
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 79246427
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648124
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 63708496) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1nc(CCl)cs1)C1CCOc2ccccc21.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is BXKNJNFXGACMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-7-9-8-20-14(16-9)17-13(18)11-5-6-19-12-4-2-1-3-10(11)12/h1-4,8,11H,5-7H2,(H,16,17,18).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63708496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).