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

C20H17FN2O2S — CID 16648964

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1COc2ccccc2C1
InChIInChI=1S/C20H17FN2O2S/c21-16-7-5-13(6-8-16)9-17-11-22-20(26-17)23-19(24)15-10-14-3-1-2-4-18(14)25-12-15/h1-8,11,15H,9-10,12H2,(H,22,23,24)
InChIKeySZWLZSXCHWTRCF-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.06
Rot. Bonds4

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 16648964) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID16648964
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1COc2ccccc2C1
InChIInChI=1S/C20H17FN2O2S/c21-16-7-5-13(6-8-16)9-17-11-22-20(26-17)23-19(24)15-10-14-3-1-2-4-18(14)25-12-15/h1-8,11,15H,9-10,12H2,(H,22,23,24)
InChIKeySZWLZSXCHWTRCF-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (5-benzyl-thiazol-2-yl)-amide
CID 3158817
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(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 155556436
2-(3,4-dimethoxyphenyl)-N-[5-[4-(4-piperidin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 156022269
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
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N-(5-(4-Methoxybenzyl)-1,3-thiazol-2-YL)-2-phenylacetamide
CID 724165
N-[5-[(4-Methoxyphenyl)methyl]-2-thiazolyl]-alpha-phenylbenzeneacetamide
CID 988211
2-(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 16416439
2-(4-methoxyphenyl)-N-[5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 16648964) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1COc2ccccc2C1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SZWLZSXCHWTRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-16-7-5-13(6-8-16)9-17-11-22-20(26-17)23-19(24)15-10-14-3-1-2-4-18(14)25-12-15/h1-8,11,15H,9-10,12H2,(H,22,23,24).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 16648964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).