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

C14H19N3S — CID 63839460

IUPACN-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1ccnc(-c2nc(C)c(CNC(C)C)s2)c1
InChIInChI=1S/C14H19N3S/c1-9(2)16-8-13-11(4)17-14(18-13)12-7-10(3)5-6-15-12/h5-7,9,16H,8H2,1-4H3
InChIKeyXYACCNFOFZVYCB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.32
Rot. Bonds4

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

N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 63839460) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID63839460
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1ccnc(-c2nc(C)c(CNC(C)C)s2)c1
InChIInChI=1S/C14H19N3S/c1-9(2)16-8-13-11(4)17-14(18-13)12-7-10(3)5-6-15-12/h5-7,9,16H,8H2,1-4H3
InChIKeyXYACCNFOFZVYCB-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 63839460) is N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1ccnc(-c2nc(C)c(CNC(C)C)s2)c1.
What is the InChIKey of N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XYACCNFOFZVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9(2)16-8-13-11(4)17-14(18-13)12-7-10(3)5-6-15-12/h5-7,9,16H,8H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63839460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).