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

C11H16N4S — CID 79485381

IUPACN-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1nccs1
InChIInChI=1S/C11H16N4S/c1-8(2)13-6-9-7-15(3)14-10(9)11-12-4-5-16-11/h4-5,7-8,13H,6H2,1-3H3
InChIKeyNKYZYVHKXYDYCO-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds4

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

N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 79485381) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID79485381
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1nccs1
InChIInChI=1S/C11H16N4S/c1-8(2)13-6-9-7-15(3)14-10(9)11-12-4-5-16-11/h4-5,7-8,13H,6H2,1-3H3
InChIKeyNKYZYVHKXYDYCO-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine (CID 79485381) is N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(C)nc1-c1nccs1.
What is the InChIKey of N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is NKYZYVHKXYDYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(2)13-6-9-7-15(3)14-10(9)11-12-4-5-16-11/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).