N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine

C12H19N5S — CID 155954047

IUPACN'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine
SMILESCN(CCCN)Cc1csc(-c2ccn(C)n2)n1
InChIInChI=1S/C12H19N5S/c1-16(6-3-5-13)8-10-9-18-12(14-10)11-4-7-17(2)15-11/h4,7,9H,3,5-6,8,13H2,1-2H3
InChIKeyNZWFNDBNUSCKIP-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.32
Rot. Bonds6

About N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine

N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine (PubChem CID 155954047) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine
PubChem CID155954047
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine
SMILESCN(CCCN)Cc1csc(-c2ccn(C)n2)n1
InChIInChI=1S/C12H19N5S/c1-16(6-3-5-13)8-10-9-18-12(14-10)11-4-7-17(2)15-11/h4,7,9H,3,5-6,8,13H2,1-2H3
InChIKeyNZWFNDBNUSCKIP-UHFFFAOYSA-N
XLogP1.32
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine (CID 155954047) is N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine is CN(CCCN)Cc1csc(-c2ccn(C)n2)n1.
What is the InChIKey of N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine?
The InChIKey is NZWFNDBNUSCKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-16(6-3-5-13)8-10-9-18-12(14-10)11-4-7-17(2)15-11/h4,7,9H,3,5-6,8,13H2,1-2H3.
What are the key properties of N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine?
N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine has a molecular weight of 265.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 155954047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).