N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine

C13H16FN3S — CID 116812815

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine
SMILESCC(C)(C)c1ncc(CNc2cccc(F)n2)s1
InChIInChI=1S/C13H16FN3S/c1-13(2,3)12-16-8-9(18-12)7-15-11-6-4-5-10(14)17-11/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyVKMZAPBOMSNYFL-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.59
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine (PubChem CID 116812815) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine
PubChem CID116812815
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine
SMILESCC(C)(C)c1ncc(CNc2cccc(F)n2)s1
InChIInChI=1S/C13H16FN3S/c1-13(2,3)12-16-8-9(18-12)7-15-11-6-4-5-10(14)17-11/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyVKMZAPBOMSNYFL-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 116812779
N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine
CID 61397845
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-fluoro-3-methylaniline
CID 55177353
2-bromo-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 63120640
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-chloro-4-fluoroaniline
CID 63120671
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 63032797
1-(5-bromothiophen-2-yl)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55138618
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-6-methylbenzonitrile
CID 107803658
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491448
6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 80646818
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline
CID 63120786
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-ethoxy-3-fluoroaniline
CID 115593197

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine (CID 116812815) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine is CC(C)(C)c1ncc(CNc2cccc(F)n2)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine?
The InChIKey is VKMZAPBOMSNYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-13(2,3)12-16-8-9(18-12)7-15-11-6-4-5-10(14)17-11/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 116812815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).