2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C15H25N3S — CID 63938747

IUPAC2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCCNC1CCCc2nc(N(CC)CC3CC3)sc21
InChIInChI=1S/C15H25N3S/c1-3-16-12-6-5-7-13-14(12)19-15(17-13)18(4-2)10-11-8-9-11/h11-12,16H,3-10H2,1-2H3
InChIKeySWHVLRNCSQUDAX-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.37
Rot. Bonds6

About 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 63938747) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID63938747
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCCNC1CCCc2nc(N(CC)CC3CC3)sc21
InChIInChI=1S/C15H25N3S/c1-3-16-12-6-5-7-13-14(12)19-15(17-13)18(4-2)10-11-8-9-11/h11-12,16H,3-10H2,1-2H3
InChIKeySWHVLRNCSQUDAX-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine with MolForge

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Related Compounds

2-N,7-N-diethyl-2-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62752681
7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 63512877
7-N-ethyl-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 55256919
7-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 112666322
2-N-ethyl-2-N-(2-methylbutyl)-7-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 79480500
2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63941076
7-N-ethyl-2-N-(1-methoxypropan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753047
2-N-benzyl-7-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751254
2-N-ethyl-2-N-(2-methoxyethyl)-7-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753608
2-N-[(5-chlorothiophen-2-yl)methyl]-7-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754948
7-N-ethyl-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754763
2-N-[2-(dimethylamino)ethyl]-7-N-methyl-2-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62752724

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 63938747) is 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CCNC1CCCc2nc(N(CC)CC3CC3)sc21.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is SWHVLRNCSQUDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-16-12-6-5-7-13-14(12)19-15(17-13)18(4-2)10-11-8-9-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 279.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 63938747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).