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

C11H16N4S — CID 79242424

IUPAC4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H16N4S/c1-7-6-16-11(13-7)12-5-10-8(2)14-15(4)9(10)3/h6H,5H2,1-4H3,(H,12,13)
InChIKeyFRGVMWWQRUOIOC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.41
Rot. Bonds3

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

4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79242424) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79242424
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H16N4S/c1-7-6-16-11(13-7)12-5-10-8(2)14-15(4)9(10)3/h6H,5H2,1-4H3,(H,12,13)
InChIKeyFRGVMWWQRUOIOC-UHFFFAOYSA-N
XLogP2.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 79242359
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 82873661
5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 75505664
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine
CID 131020952
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
2,5-dichloro-4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 115755792
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580
1-(4-methyl-1,3-thiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105171577
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
1-(4-bromothiophen-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60957957

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 79242424) is 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is Cc1csc(NCc2c(C)nn(C)c2C)n1.
What is the InChIKey of 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is FRGVMWWQRUOIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-6-16-11(13-7)12-5-10-8(2)14-15(4)9(10)3/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79242424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).