(5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

C11H16N4S — CID 43558937

IUPAC(5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1cnc(C(N)c2c(C)nn(C)c2C)s1
InChIInChI=1S/C11H16N4S/c1-6-5-13-11(16-6)10(12)9-7(2)14-15(4)8(9)3/h5,10H,12H2,1-4H3
InChIKeyUKONLADVECTVNS-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.85
Rot. Bonds2

About (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

(5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 43558937) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID43558937
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name(5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1cnc(C(N)c2c(C)nn(C)c2C)s1
InChIInChI=1S/C11H16N4S/c1-6-5-13-11(16-6)10(12)9-7(2)14-15(4)8(9)3/h5,10H,12H2,1-4H3
InChIKeyUKONLADVECTVNS-UHFFFAOYSA-N
XLogP1.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 43558937) is (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1cnc(C(N)c2c(C)nn(C)c2C)s1.
What is the InChIKey of (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is UKONLADVECTVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-6-5-13-11(16-6)10(12)9-7(2)14-15(4)8(9)3/h5,10H,12H2,1-4H3.
What are the key properties of (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
(5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43558937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).