2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine

C11H17N5S — CID 112645383

IUPAC2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(Cc2cncs2)nn1
InChIInChI=1S/C11H17N5S/c1-11(2,3)13-4-9-6-16(15-14-9)7-10-5-12-8-17-10/h5-6,8,13H,4,7H2,1-3H3
InChIKeyNJTAFDQYSKGURX-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 112645383) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID112645383
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(Cc2cncs2)nn1
InChIInChI=1S/C11H17N5S/c1-11(2,3)13-4-9-6-16(15-14-9)7-10-5-12-8-17-10/h5-6,8,13H,4,7H2,1-3H3
InChIKeyNJTAFDQYSKGURX-UHFFFAOYSA-N
XLogP1.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192657
N-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 83182735
2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194003
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193228
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
1-(1,3-thiazol-5-ylmethyl)triazole-4-carbaldehyde
CID 112645380
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
CID 114497656
N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193617
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66192071
N-[[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine (CID 112645383) is 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cn(Cc2cncs2)nn1.
What is the InChIKey of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is NJTAFDQYSKGURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-11(2,3)13-4-9-6-16(15-14-9)7-10-5-12-8-17-10/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 112645383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).