N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine

C14H19N3OS — CID 115703933

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCc2csc(C(C)(C)C)n2)cn1
InChIInChI=1S/C14H19N3OS/c1-14(2,3)13-17-11(9-19-13)8-15-10-5-6-12(18-4)16-7-10/h5-7,9,15H,8H2,1-4H3
InChIKeyOVHZSZVUJFAFEM-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.46
Rot. Bonds4

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine (PubChem CID 115703933) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine
PubChem CID115703933
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCc2csc(C(C)(C)C)n2)cn1
InChIInChI=1S/C14H19N3OS/c1-14(2,3)13-17-11(9-19-13)8-15-10-5-6-12(18-4)16-7-10/h5-7,9,15H,8H2,1-4H3
InChIKeyOVHZSZVUJFAFEM-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43663789
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3,4-difluoroaniline
CID 115694591
6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 63655578
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine
CID 113341585
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methanamine
CID 86947343
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine
CID 43755833
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115777221
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
2,4-dibromo-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-methoxyaniline
CID 103412256
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine (CID 115703933) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine is COc1ccc(NCc2csc(C(C)(C)C)n2)cn1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The InChIKey is OVHZSZVUJFAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-14(2,3)13-17-11(9-19-13)8-15-10-5-6-12(18-4)16-7-10/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine has a molecular weight of 277.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 115703933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).