2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C18H19FN2O2S — CID 119046192

IUPAC2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC2CC2)sc1C(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C18H19FN2O2S/c1-10-17(24-16(20-10)8-11-2-3-11)18(22)21-14-6-7-23-15-5-4-12(19)9-13(14)15/h4-5,9,11,14H,2-3,6-8H2,1H3,(H,21,22)
InChIKeyJYTGHXTWEPJAND-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.80
Rot. Bonds4

About 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119046192) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119046192
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC2CC2)sc1C(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C18H19FN2O2S/c1-10-17(24-16(20-10)8-11-2-3-11)18(22)21-14-6-7-23-15-5-4-12(19)9-13(14)15/h4-5,9,11,14H,2-3,6-8H2,1H3,(H,21,22)
InChIKeyJYTGHXTWEPJAND-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

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CID 9193152
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
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(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
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CID 119041646
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N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
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N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 95163784
N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 71937648
1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide
CID 138004756
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 119046192) is 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(CC2CC2)sc1C(=O)NC1CCOc2ccc(F)cc21.
What is the InChIKey of 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JYTGHXTWEPJAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-10-17(24-16(20-10)8-11-2-3-11)18(22)21-14-6-7-23-15-5-4-12(19)9-13(14)15/h4-5,9,11,14H,2-3,6-8H2,1H3,(H,21,22).
What are the key properties of 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119046192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).