2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C14H25N3S — CID 64977289

IUPAC2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCC(N(C)c1nc2c(s1)CCCC2N)C(C)(C)C
InChIInChI=1S/C14H25N3S/c1-9(14(2,3)4)17(5)13-16-12-10(15)7-6-8-11(12)18-13/h9-10H,6-8,15H2,1-5H3
InChIKeyPDRNYDNCERPAJS-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.35
Rot. Bonds2

About 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977289) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977289
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCC(N(C)c1nc2c(s1)CCCC2N)C(C)(C)C
InChIInChI=1S/C14H25N3S/c1-9(14(2,3)4)17(5)13-16-12-10(15)7-6-8-11(12)18-13/h9-10H,6-8,15H2,1-5H3
InChIKeyPDRNYDNCERPAJS-UHFFFAOYSA-N
XLogP3.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977289) is 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CC(N(C)c1nc2c(s1)CCCC2N)C(C)(C)C.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is PDRNYDNCERPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-9(14(2,3)4)17(5)13-16-12-10(15)7-6-8-11(12)18-13/h9-10H,6-8,15H2,1-5H3.
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 267.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).