1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine

C10H11N3S — CID 62758662

IUPAC1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2cncs2)ccn1
InChIInChI=1S/C10H11N3S/c1-3-11-4-2-9(1)5-12-6-10-7-13-8-14-10/h1-4,7-8,12H,5-6H2
InChIKeyXPYPXDXVZYKHIU-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.83
Rot. Bonds4

About 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine

1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 62758662) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID62758662
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2cncs2)ccn1
InChIInChI=1S/C10H11N3S/c1-3-11-4-2-9(1)5-12-6-10-7-13-8-14-10/h1-4,7-8,12H,5-6H2
InChIKeyXPYPXDXVZYKHIU-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732148
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732273
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 63032797
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115757243
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 62758662) is 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine is c1cc(CNCc2cncs2)ccn1.
What is the InChIKey of 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is XPYPXDXVZYKHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-3-11-4-2-9(1)5-12-6-10-7-13-8-14-10/h1-4,7-8,12H,5-6H2.
What are the key properties of 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 205.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 62758662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).