2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C14H21N5S — CID 64977033

IUPAC2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCNC1CCCc2sc(N(C)Cc3cnn(C)c3)nc21
InChIInChI=1S/C14H21N5S/c1-15-11-5-4-6-12-13(11)17-14(20-12)18(2)8-10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyOLHFBHSPMAYOEG-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.11
Rot. Bonds4

About 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977033) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977033
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCNC1CCCc2sc(N(C)Cc3cnn(C)c3)nc21
InChIInChI=1S/C14H21N5S/c1-15-11-5-4-6-12-13(11)17-14(20-12)18(2)8-10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyOLHFBHSPMAYOEG-UHFFFAOYSA-N
XLogP2.11
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977143
4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63916634
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751549
2-N-(4-ethylcyclohexyl)-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977177
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62751493
2-N-butyl-2-N-cyclopropyl-4-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977234
2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977361
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
2-N,7-N-dimethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750777
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976718
2-N-methyl-2-N-pentyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976809

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977033) is 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CNC1CCCc2sc(N(C)Cc3cnn(C)c3)nc21.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is OLHFBHSPMAYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-15-11-5-4-6-12-13(11)17-14(20-12)18(2)8-10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3.
What are the key properties of 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).