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

C10H16N4S — CID 80686490

IUPAC5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCc2cnn(C)c2)S1
InChIInChI=1S/C10H16N4S/c1-8-5-12-10(15-8)11-4-3-9-6-13-14(2)7-9/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyVDZNVEGQHUFRFN-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.04
Rot. Bonds3

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

5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 80686490) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID80686490
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCc2cnn(C)c2)S1
InChIInChI=1S/C10H16N4S/c1-8-5-12-10(15-8)11-4-3-9-6-13-14(2)7-9/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyVDZNVEGQHUFRFN-UHFFFAOYSA-N
XLogP1.04
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 658531
5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361810
N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 43439610
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
6-N-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 80681156
2,6-dibromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 114209108
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107463958
2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80853556
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 103002168
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 80686490) is 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCCc2cnn(C)c2)S1.
What is the InChIKey of 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VDZNVEGQHUFRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-8-5-12-10(15-8)11-4-3-9-6-13-14(2)7-9/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 224.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 80686490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).