1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine

C11H16N4S — CID 115927529

IUPAC1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)c1cncs1
InChIInChI=1S/C11H16N4S/c1-7(10-5-12-6-16-10)13-11-8(2)14-15(4)9(11)3/h5-7,13H,1-4H3
InChIKeyRORRGWAWFRQURC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.67
Rot. Bonds3

About 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine

1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine (PubChem CID 115927529) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
PubChem CID115927529
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)c1cncs1
InChIInChI=1S/C11H16N4S/c1-7(10-5-12-6-16-10)13-11-8(2)14-15(4)9(11)3/h5-7,13H,1-4H3
InChIKeyRORRGWAWFRQURC-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-3-amine
CID 115922073
3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine
CID 115927876
1,3,5-trimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43204496
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648389
1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine
CID 43204472
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106
3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
CID 130573982
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916
3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916459
2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
CID 82109909
N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70767354

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine (CID 115927529) is 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine is Cc1nn(C)c(C)c1NC(C)c1cncs1.
What is the InChIKey of 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The InChIKey is RORRGWAWFRQURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(10-5-12-6-16-10)13-11-8(2)14-15(4)9(11)3/h5-7,13H,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine has a molecular weight of 236.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 115927529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).