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

C13H19N3S2 — CID 55241946

IUPACN-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(-c2csc(CNCC(C)C)n2)c(C)s1
InChIInChI=1S/C13H19N3S2/c1-8(2)5-14-6-12-16-11(7-17-12)13-9(3)18-10(4)15-13/h7-8,14H,5-6H2,1-4H3
InChIKeyBVCFHYKRWMQDRR-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.63
Rot. Bonds5

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

N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55241946) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID55241946
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC NameN-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(-c2csc(CNCC(C)C)n2)c(C)s1
InChIInChI=1S/C13H19N3S2/c1-8(2)5-14-6-12-16-11(7-17-12)13-9(3)18-10(4)15-13/h7-8,14H,5-6H2,1-4H3
InChIKeyBVCFHYKRWMQDRR-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 55241946) is N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is Cc1nc(-c2csc(CNCC(C)C)n2)c(C)s1.
What is the InChIKey of N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BVCFHYKRWMQDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-8(2)5-14-6-12-16-11(7-17-12)13-9(3)18-10(4)15-13/h7-8,14H,5-6H2,1-4H3.
What are the key properties of N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 281.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55241946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).