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

C12H21N5S — CID 107154265

IUPAC5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NC(C)c2nncn2C)S1
InChIInChI=1S/C12H21N5S/c1-8(2)5-10-6-13-12(18-10)15-9(3)11-16-14-7-17(11)4/h7-10H,5-6H2,1-4H3,(H,13,15)
InChIKeyNTDRUHUPMHMDHZ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.98
Rot. Bonds4

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

5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154265) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154265
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NC(C)c2nncn2C)S1
InChIInChI=1S/C12H21N5S/c1-8(2)5-10-6-13-12(18-10)15-9(3)11-16-14-7-17(11)4/h7-10H,5-6H2,1-4H3,(H,13,15)
InChIKeyNTDRUHUPMHMDHZ-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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Related Compounds

5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035711
5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107153676
1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine
CID 107154655
N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107153702
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107164692
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
CID 130683482
N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154552
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154208
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154249
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 107154044

Frequently Asked Questions

What is the IUPAC name of 5-(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 5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154265) is 5-(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 5-(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 5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NC(C)c2nncn2C)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NTDRUHUPMHMDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-8(2)5-10-6-13-12(18-10)15-9(3)11-16-14-7-17(11)4/h7-10H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(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 5-(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 107154265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).