N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C14H14N2O3S — CID 110743024

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ncsc1CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H14N2O3S/c1-9-13(20-7-16-9)4-5-15-14(17)10-2-3-11-12(6-10)19-8-18-11/h2-3,6-7H,4-5,8H2,1H3,(H,15,17)
InChIKeyXBJRMUUIRQUVLF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110743024) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110743024
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ncsc1CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H14N2O3S/c1-9-13(20-7-16-9)4-5-15-14(17)10-2-3-11-12(6-10)19-8-18-11/h2-3,6-7H,4-5,8H2,1H3,(H,15,17)
InChIKeyXBJRMUUIRQUVLF-UHFFFAOYSA-N
XLogP2.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7207758
N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743046
4-(5-methylfuran-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 131898687
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110284922
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110285051
N-(4-bromopentyl)-1,3-benzodioxole-5-carboxamide
CID 114147566
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879958

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 110743024) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide is Cc1ncsc1CCNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is XBJRMUUIRQUVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-13(20-7-16-9)4-5-15-14(17)10-2-3-11-12(6-10)19-8-18-11/h2-3,6-7H,4-5,8H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110743024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).