5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine

C13H21N5S — CID 79542188

IUPAC5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
SMILESCCCc1nc(Cn2nnc(N)c2C(C)(C)C)cs1
InChIInChI=1S/C13H21N5S/c1-5-6-10-15-9(8-19-10)7-18-11(13(2,3)4)12(14)16-17-18/h8H,5-7,14H2,1-4H3
InChIKeyBJWJAMRVYORIOX-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.62
Rot. Bonds4

About 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine

5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine (PubChem CID 79542188) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
PubChem CID79542188
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
SMILESCCCc1nc(Cn2nnc(N)c2C(C)(C)C)cs1
InChIInChI=1S/C13H21N5S/c1-5-6-10-15-9(8-19-10)7-18-11(13(2,3)4)12(14)16-17-18/h8H,5-7,14H2,1-4H3
InChIKeyBJWJAMRVYORIOX-UHFFFAOYSA-N
XLogP2.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine
CID 116888476
5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine
CID 79542874
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
5-tert-butyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-amine
CID 79537113
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-propyl-1,3-thiazole
CID 62400670
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405985
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 119928878
4-[[4-(diethoxymethyl)triazol-1-yl]methyl]-2-propyl-1,3-thiazole
CID 66215759

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine (CID 79542188) is 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine is CCCc1nc(Cn2nnc(N)c2C(C)(C)C)cs1.
What is the InChIKey of 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The InChIKey is BJWJAMRVYORIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-6-10-15-9(8-19-10)7-18-11(13(2,3)4)12(14)16-17-18/h8H,5-7,14H2,1-4H3.
What are the key properties of 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine has a molecular weight of 279.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).