(4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine

C15H17N3S2 — CID 114361075

IUPAC(4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)(C)c1nc(-c2cnc3ccsc3c2)sc1CN
InChIInChI=1S/C15H17N3S2/c1-15(2,3)13-12(7-16)20-14(18-13)9-6-11-10(17-8-9)4-5-19-11/h4-6,8H,7,16H2,1-3H3
InChIKeyKPMHCZJHUFLATH-UHFFFAOYSA-N
MW303.46 g/mol
LogP4.18
Rot. Bonds2

About (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine

(4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 114361075) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
PubChem CID114361075
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name(4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)(C)c1nc(-c2cnc3ccsc3c2)sc1CN
InChIInChI=1S/C15H17N3S2/c1-15(2,3)13-12(7-16)20-14(18-13)9-6-11-10(17-8-9)4-5-19-11/h4-6,8H,7,16H2,1-3H3
InChIKeyKPMHCZJHUFLATH-UHFFFAOYSA-N
XLogP4.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopropyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361944
[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439217
[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361063
[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114360940
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone
CID 81143050
N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 81143716
2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 81146424
N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 81143527
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 82439289
methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate
CID 106696532
2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 81143321

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine (CID 114361075) is (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine is CC(C)(C)c1nc(-c2cnc3ccsc3c2)sc1CN.
What is the InChIKey of (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is KPMHCZJHUFLATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-15(2,3)13-12(7-16)20-14(18-13)9-6-11-10(17-8-9)4-5-19-11/h4-6,8H,7,16H2,1-3H3.
What are the key properties of (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine?
(4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 303.46 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 114361075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).