N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine

C15H18N2O2S — CID 60982260

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
SMILESCCc1ncc(CNc2ccc3c(c2)OC(C)(C)O3)s1
InChIInChI=1S/C15H18N2O2S/c1-4-14-17-9-11(20-14)8-16-10-5-6-12-13(7-10)19-15(2,3)18-12/h5-7,9,16H,4,8H2,1-3H3
InChIKeyQXSGUZRWZXTRQV-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.82
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine (PubChem CID 60982260) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
PubChem CID60982260
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
SMILESCCc1ncc(CNc2ccc3c(c2)OC(C)(C)O3)s1
InChIInChI=1S/C15H18N2O2S/c1-4-14-17-9-11(20-14)8-16-10-5-6-12-13(7-10)19-15(2,3)18-12/h5-7,9,16H,4,8H2,1-3H3
InChIKeyQXSGUZRWZXTRQV-UHFFFAOYSA-N
XLogP3.82
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzodioxol-5-amine
CID 61168858
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883751
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 54883135
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrimidin-5-amine
CID 107588313
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-fluorobenzoic acid
CID 54883431
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-nitroaniline
CID 54883766
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoro-3-nitroaniline
CID 54883087
1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea
CID 60983648
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883371
N-[2-chloro-4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 60981950

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine (CID 60982260) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine is CCc1ncc(CNc2ccc3c(c2)OC(C)(C)O3)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine?
The InChIKey is QXSGUZRWZXTRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-14-17-9-11(20-14)8-16-10-5-6-12-13(7-10)19-15(2,3)18-12/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine has a molecular weight of 290.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine is sourced from PubChem (CID 60982260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).