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

C11H16N4S — CID 28781458

IUPAC1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nc(CNc2c(C)nn(C)c2C)cs1
InChIInChI=1S/C11H16N4S/c1-7-11(8(2)15(4)14-7)12-5-10-6-16-9(3)13-10/h6,12H,5H2,1-4H3
InChIKeyXZWZXRHTLVDJFV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.41
Rot. Bonds3

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

1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 28781458) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
PubChem CID28781458
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nc(CNc2c(C)nn(C)c2C)cs1
InChIInChI=1S/C11H16N4S/c1-7-11(8(2)15(4)14-7)12-5-10-6-16-9(3)13-10/h6,12H,5H2,1-4H3
InChIKeyXZWZXRHTLVDJFV-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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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine (CID 28781458) is 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine is Cc1nc(CNc2c(C)nn(C)c2C)cs1.
What is the InChIKey of 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is XZWZXRHTLVDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-11(8(2)15(4)14-7)12-5-10-6-16-9(3)13-10/h6,12H,5H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-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 1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 28781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).