4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C12H21N5S — CID 62118498

IUPAC4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)c2nncn2C)=N1
InChIInChI=1S/C12H21N5S/c1-8(2)5-10-6-18-12(15-10)14-9(3)11-16-13-7-17(11)4/h7-10H,5-6H2,1-4H3,(H,14,15)
InChIKeyFJGUSWUSIKJHOE-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.98
Rot. Bonds4

About 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62118498) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62118498
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)c2nncn2C)=N1
InChIInChI=1S/C12H21N5S/c1-8(2)5-10-6-18-12(15-10)14-9(3)11-16-13-7-17(11)4/h7-10H,5-6H2,1-4H3,(H,14,15)
InChIKeyFJGUSWUSIKJHOE-UHFFFAOYSA-N
XLogP1.98
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 62118498) is 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C)c2nncn2C)=N1.
What is the InChIKey of 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FJGUSWUSIKJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-8(2)5-10-6-18-12(15-10)14-9(3)11-16-13-7-17(11)4/h7-10H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 267.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62118498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).