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

C14H22N4S — CID 43647962

IUPACN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nc(Cn2nc(C)c(CNC(C)C)c2C)cs1
InChIInChI=1S/C14H22N4S/c1-9(2)15-6-14-10(3)17-18(11(14)4)7-13-8-19-12(5)16-13/h8-9,15H,6-7H2,1-5H3
InChIKeyXWJLRJXNDNOYKZ-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.81
Rot. Bonds5

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

N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 43647962) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID43647962
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nc(Cn2nc(C)c(CNC(C)C)c2C)cs1
InChIInChI=1S/C14H22N4S/c1-9(2)15-6-14-10(3)17-18(11(14)4)7-13-8-19-12(5)16-13/h8-9,15H,6-7H2,1-5H3
InChIKeyXWJLRJXNDNOYKZ-UHFFFAOYSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine (CID 43647962) is N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1nc(Cn2nc(C)c(CNC(C)C)c2C)cs1.
What is the InChIKey of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is XWJLRJXNDNOYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-9(2)15-6-14-10(3)17-18(11(14)4)7-13-8-19-12(5)16-13/h8-9,15H,6-7H2,1-5H3.
What are the key properties of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 278.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 43647962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).