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

C18H14N2O3S2 — CID 55813133

IUPACN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1
InChIInChI=1S/C18H14N2O3S2/c1-11-9-24-18(19-11)25-14-5-3-13(4-6-14)20-17(21)12-2-7-15-16(8-12)23-10-22-15/h2-9H,10H2,1H3,(H,20,21)
InChIKeyFIJLMDZFRZFWDT-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.58
Rot. Bonds4

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

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 55813133) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID55813133
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1
InChIInChI=1S/C18H14N2O3S2/c1-11-9-24-18(19-11)25-14-5-3-13(4-6-14)20-17(21)12-2-7-15-16(8-12)23-10-22-15/h2-9H,10H2,1H3,(H,20,21)
InChIKeyFIJLMDZFRZFWDT-UHFFFAOYSA-N
XLogP4.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26499454
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide
CID 55921210
1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-dione
CID 59213856
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 24699163
N-[4-(2-oxopropylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 22299162
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8533850
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
1-ethyl-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pyrrole-3-carboxamide
CID 75416604

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide (CID 55813133) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide is Cc1csc(Sc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is FIJLMDZFRZFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c1-11-9-24-18(19-11)25-14-5-3-13(4-6-14)20-17(21)12-2-7-15-16(8-12)23-10-22-15/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 55813133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).