N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide

C17H18N2O2S — CID 91793841

IUPACN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(C1CCc2ccccc2O1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C17H18N2O2S/c20-17(15-8-5-12-3-1-2-4-14(12)21-15)19(13-6-7-13)11-16-18-9-10-22-16/h1-4,9-10,13,15H,5-8,11H2
InChIKeyKMJOIQLQOCMPTI-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.03
Rot. Bonds4

About N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide

N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 91793841) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID91793841
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(C1CCc2ccccc2O1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C17H18N2O2S/c20-17(15-8-5-12-3-1-2-4-14(12)21-15)19(13-6-7-13)11-16-18-9-10-22-16/h1-4,9-10,13,15H,5-8,11H2
InChIKeyKMJOIQLQOCMPTI-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 91793841) is N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide is O=C(C1CCc2ccccc2O1)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is KMJOIQLQOCMPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-17(15-8-5-12-3-1-2-4-14(12)21-15)19(13-6-7-13)11-16-18-9-10-22-16/h1-4,9-10,13,15H,5-8,11H2.
What are the key properties of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 91793841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).