N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide

C17H18N2O3S — CID 2443447

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCC1
InChIInChI=1S/C17H18N2O3S/c20-16(11-3-1-2-4-11)19-17-18-13(10-23-17)12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9-11H,1-4,7-8H2,(H,18,19,20)
InChIKeyUCKZPCHJPSOPON-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.71
Rot. Bonds3

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 2443447) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID2443447
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCC1
InChIInChI=1S/C17H18N2O3S/c20-16(11-3-1-2-4-11)19-17-18-13(10-23-17)12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9-11H,1-4,7-8H2,(H,18,19,20)
InChIKeyUCKZPCHJPSOPON-UHFFFAOYSA-N
XLogP3.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide with MolForge

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Related Compounds

T16AInh-A01
CID 135460621
Enoxamast
CID 194595
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 616435
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 2444242
4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 4841050
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8961860
(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16245514
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
1-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144346
1-[4-(3-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
CID 46907658

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 2443447) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide is O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCC1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is UCKZPCHJPSOPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(11-3-1-2-4-11)19-17-18-13(10-23-17)12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9-11H,1-4,7-8H2,(H,18,19,20).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 2443447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).