N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine

C13H21N5S — CID 118771225

IUPACN-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)Cc2c(C)nn(C)c2C)cs1
InChIInChI=1S/C13H21N5S/c1-9-12(10(2)18(5)16-9)7-17(4)6-11-8-19-13(14-3)15-11/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyVDJMUCQEFBVKHR-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine

N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 118771225) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID118771225
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)Cc2c(C)nn(C)c2C)cs1
InChIInChI=1S/C13H21N5S/c1-9-12(10(2)18(5)16-9)7-17(4)6-11-8-19-13(14-3)15-11/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyVDJMUCQEFBVKHR-UHFFFAOYSA-N
XLogP2.17
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 91842152
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79242424
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
N-[(2-hydrazinyl-1,3-thiazol-4-yl)methyl]-N-methylethanamine
CID 130552869
1-(2-chloro-4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 22196500
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 62207198
N,1,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrazol-5-amine
CID 55046472
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
CID 167861737
N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 79645097
2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87001024
N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
CID 77089227

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine (CID 118771225) is N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine is CNc1nc(CN(C)Cc2c(C)nn(C)c2C)cs1.
What is the InChIKey of N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is VDJMUCQEFBVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-9-12(10(2)18(5)16-9)7-17(4)6-11-8-19-13(14-3)15-11/h8H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine?
N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118771225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).