2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

C16H23N3OS — CID 62749845

IUPAC2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCCN(Cc1ccco1)c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C16H23N3OS/c1-4-19(10-11-6-5-7-20-11)15-18-13-9-16(2,3)8-12(17)14(13)21-15/h5-7,12H,4,8-10,17H2,1-3H3
InChIKeyWDWSAMXANPQHIL-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.73
Rot. Bonds4

About 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (PubChem CID 62749845) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
PubChem CID62749845
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCCN(Cc1ccco1)c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C16H23N3OS/c1-4-19(10-11-6-5-7-20-11)15-18-13-9-16(2,3)8-12(17)14(13)21-15/h5-7,12H,4,8-10,17H2,1-3H3
InChIKeyWDWSAMXANPQHIL-UHFFFAOYSA-N
XLogP3.73
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine with MolForge

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Related Compounds

2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750828
2-N-[2-(dimethylamino)ethyl]-5,5-dimethyl-2-N-propyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752227
2-N,5,5-trimethyl-2-N-(oxolan-3-yl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 82754821
2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 107111642
2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752046
2-N-cyclopropyl-5,5-dimethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750176
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116774459
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
2-(4-methoxy-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62132444

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (CID 62749845) is 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is CCN(Cc1ccco1)c1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The InChIKey is WDWSAMXANPQHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-19(10-11-6-5-7-20-11)15-18-13-9-16(2,3)8-12(17)14(13)21-15/h5-7,12H,4,8-10,17H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(furan-2-ylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62749845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).